data_2lwl_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 2lwl _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 ' 6' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 37.4 t . . . . . 0 CA--C 1.527 0.059 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.41 -40.43 86.63 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.2 -37.46 87.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.519 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.41 4.93 16.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 70.97 30.47 2.77 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.711 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.492 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -87.59 127.53 8.54 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.311 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -94.42 133.57 37.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.665 0.269 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -81.14 107.57 14.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 110.234 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -127.17 170.49 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.759 178.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -58.75 3.09 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.068 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.461 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 8.2 p30 -113.65 137.98 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.031 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 17.9 m -71.41 137.37 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.0 -157.03 30.88 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.892 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HE3' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -42.71 112.99 0.41 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.092 0.957 . . . . 0.0 112.72 -179.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.4 m120 58.28 17.25 4.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.215 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.543 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 44.7 mt-10 -95.07 138.8 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.8 pt-20 -122.61 155.77 35.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 HD11 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tt -82.04 117.03 21.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.539 HG22 ' CD ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -114.03 -21.51 5.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -174.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.1 20.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.087 0.47 . . . . 0.0 111.033 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -99.11 118.09 35.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.617 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -97.26 179.7 4.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.341 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -84.57 171.86 12.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HB2' HD21 ' A' ' 31' ' ' LEU . 40.6 mtmt 64.3 15.11 9.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.7 m 74.28 13.63 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.501 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -79.82 152.74 29.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.691 0.281 . . . . 0.0 110.249 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -129.89 135.47 48.4 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -74.81 108.62 7.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.575 -179.361 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 39.3 m -109.78 128.04 55.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.029 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 78.0 mtp180 -96.54 131.85 42.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.319 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 9.5 m -79.58 89.39 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.682 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.3 mm . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.725 -173.789 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.502 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 32.0 t . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.781 0.324 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.87 -44.66 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.479 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.94 -43.2 91.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.232 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.49 -1.62 56.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.442 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 60.15 39.59 19.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.95 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.57 174.74 29.71 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.249 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -128.74 134.29 48.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.613 0.245 . . . . 0.0 110.737 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.45 108.54 13.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.859 0.361 . . . . 0.0 110.178 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -133.54 174.23 10.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.488 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -89.54 -53.27 4.61 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.893 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -111.04 130.16 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.416 . . . . 0.0 110.309 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 55.5 m -71.61 135.53 46.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.025 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.49 -158.17 33.34 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.47 111.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 112.849 -176.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.06 52.82 11.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.03 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.571 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.6 mt-10 -119.76 143.25 47.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.509 177.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 10.1 pt-20 -118.96 155.27 31.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.309 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.599 ' HG ' ' HD2' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -91.49 107.89 19.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.59 HG22 ' CD ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -108.76 -20.84 5.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.701 -166.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -158.55 164.3 36.23 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD21 ' HE3' ' A' ' 32' ' ' LYS . 2.5 tm? -115.08 133.37 56.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.58 0.705 . . . . 0.0 110.088 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.1 m -119.17 -179.71 3.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.764 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -75.04 169.44 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HB2' HD21 ' A' ' 31' ' ' LEU . 33.7 mtmm 65.48 12.79 8.43 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -177.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m 74.45 12.34 3.92 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 29' ' ' LYS . 2.9 mm? -74.12 154.33 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.536 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.599 ' HD2' ' HG ' ' A' ' 23' ' ' LEU . 9.5 mttp -131.03 153.05 49.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HB2' HG13 ' A' ' 24' ' ' ILE . 69.5 m -80.84 118.64 22.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 99.1 m -102.76 129.46 49.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.044 174.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.59 ' CD ' HG22 ' A' ' 24' ' ' ILE . 18.1 mtm180 -100.76 124.08 45.89 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.571 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.2 m -79.0 92.62 4.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.973 0.796 . . . . 0.0 109.951 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 N--CA 1.444 -0.73 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.741 -174.816 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.583 ' SG ' HD11 ' A' ' 24' ' ' ILE . 8.2 t . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -61.04 -32.47 72.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.424 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.66 -37.84 79.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.188 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.45 12.6 3.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.478 0.656 . . . . 0.0 110.233 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.8 mmtp 72.56 29.21 2.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.549 169.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.62 84.82 0.5 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 p -71.28 145.53 49.48 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.205 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.681 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 3.2 m -81.09 99.24 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.177 0.513 . . . . 0.0 110.528 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HA ' HD13 ' A' ' 31' ' ' LEU . 19.1 ptpt -133.91 163.01 30.48 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.82 174.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -81.47 -46.5 14.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.147 0.498 . . . . 0.0 110.781 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -116.83 142.21 47.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.367 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.476 ' SG ' HD11 ' A' ' 23' ' ' LEU . 28.6 m -77.78 132.62 38.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.565 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.93 -156.22 31.93 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.97 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 127.61 23.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.044 0.449 . . . . 0.0 111.412 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.401 ' O ' HG12 ' A' ' 37' ' ' ILE . 3.6 m-20 56.51 28.61 14.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.019 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 47.6 mt-10 -113.56 142.51 45.87 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.899 -0.72 . . . . 0.0 112.098 -176.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.3 pt-20 -124.45 155.5 38.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.543 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 HD11 ' SG ' ' A' ' 17' ' ' CYS . 6.1 tp -88.37 114.83 25.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.583 HD11 ' SG ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -114.63 -20.33 6.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.749 -171.307 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . . . -165.8 165.13 18.62 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 111.078 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.12 139.28 37.95 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.911 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.5 m -112.83 176.85 4.84 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -84.98 173.12 10.79 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt 66.19 13.69 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.511 0.507 . . . . 0.0 110.731 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 m 77.61 9.18 2.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.964 0.906 . . . . 0.0 112.239 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 14' ' ' LYS . 3.5 mm? -84.26 166.73 17.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 122.391 -0.193 . . . . 0.0 110.588 175.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.1 mptt -134.16 163.25 30.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 60.8 m -88.75 104.23 16.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.279 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 73.4 m -105.65 117.87 35.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.932 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.64 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 69.8 mtp180 -92.65 128.42 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.135 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.45 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.9 m -81.56 104.01 11.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 109.689 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 20' ' ' ASN . 43.7 mm . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.133 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 34.1 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.989 0.423 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -60.88 -45.95 92.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.647 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -53.53 -44.96 69.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.669 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.78 -9.85 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.45 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 57.87 46.99 15.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.942 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 176.53 31.15 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.982 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -127.24 130.4 49.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.971 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -75.13 107.66 7.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.768 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -132.55 174.5 10.21 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.356 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -80.85 -51.63 8.39 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.122 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -118.53 137.73 53.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' HD11 ' A' ' 23' ' ' LEU . 35.5 m -69.07 141.18 54.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 -171.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.29 -159.75 28.31 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.27 118.99 7.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.305 0.574 . . . . 0.0 111.111 -177.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 57.91 53.22 7.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.257 177.362 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 86.9 mt-10 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -127.84 162.03 27.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.835 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.585 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 1.3 tp -83.41 111.87 19.42 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -98.61 -35.29 4.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.451 -175.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.54 158.53 34.15 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.074 0.464 . . . . 0.0 111.514 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.59 115.34 29.93 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.461 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 99.3 m -97.03 175.74 6.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.336 -172.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.66 171.08 13.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.073 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HB2' HD23 ' A' ' 31' ' ' LEU . 44.7 mtmt 61.0 18.85 9.33 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.2 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 p 59.89 21.41 10.38 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.134 1.373 . . . . 0.0 112.618 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.5 mm? -75.12 159.17 31.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.09 0.472 . . . . 0.0 110.74 173.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 12.8 mptt -115.45 134.98 54.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.132 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 42.3 t -81.09 114.53 20.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 35.7 m -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.099 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -106.37 132.6 52.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.325 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.493 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -77.61 123.17 26.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.8 mm . . . . . 0 C--N 1.321 -0.663 0 CA-C-O 121.48 0.657 . . . . 0.0 111.597 -173.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.268 0.556 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -58.89 -44.4 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.648 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -60.23 -38.33 83.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.126 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.43 -0.59 57.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 61.06 38.88 16.85 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.866 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.76 165.28 25.67 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -117.04 147.96 41.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.009 0.404 . . . . 0.0 110.472 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 8.7 m -87.92 105.97 17.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -129.68 175.49 8.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.388 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -74.64 -69.51 0.46 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.748 0.785 . . . . 0.0 110.56 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -112.61 144.73 41.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.613 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' HD13 ' A' ' 23' ' ' LEU . 31.1 m -71.41 135.23 47.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.421 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.79 -158.62 34.19 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.591 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.95 129.83 41.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.909 0.385 . . . . 0.0 111.294 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 36' ' ' THR . 17.0 m120 53.01 55.17 9.3 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.557 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 41.8 mt-10 -136.28 152.62 50.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.03 0.443 . . . . 0.0 111.261 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -131.03 164.9 24.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.949 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.444 HD13 ' SG ' ' A' ' 17' ' ' CYS . 3.9 tp -89.44 109.63 20.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.238 0.542 . . . . 0.0 109.635 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -98.09 -33.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.288 -170.726 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.16 165.12 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.16 0.505 . . . . 0.0 111.265 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.94 124.5 52.52 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.175 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.8 m -111.24 165.89 11.55 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.052 0.453 . . . . 0.0 111.26 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 78.3 mt-30 -71.87 172.17 10.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.859 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.04 9.74 7.15 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.396 -172.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.7 m 76.01 0.72 3.36 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.2 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.65 149.89 48.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 2.1 mptp? -120.39 152.67 37.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 94.7 m -86.83 120.59 28.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.423 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.1 m -114.35 132.8 56.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.9 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -114.69 134.74 54.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.987 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 15.6 m -80.74 120.12 24.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.627 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.37 -177.209 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -62.58 -49.89 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.869 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -53.48 -45.63 69.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -82.11 -11.5 58.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm 62.68 42.39 8.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.904 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.4 177.24 29.57 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -131.09 154.31 48.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.356 0.598 . . . . 0.0 111.162 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.536 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.8 m -89.35 110.38 21.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.174 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HZ3' ' CD ' ' A' ' 21' ' ' GLU . 18.8 ptpt -127.6 166.94 17.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.901 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -76.58 -50.9 12.7 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -119.63 135.65 54.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.767 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 33.9 m -69.83 134.89 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.993 0.425 . . . . 0.0 110.488 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.22 -158.8 33.04 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.316 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.71 133.12 55.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 111.141 -178.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 51.53 52.26 15.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.332 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.7 mt-10 -132.55 161.62 33.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.179 0.514 . . . . 0.0 111.288 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -143.39 159.16 42.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.223 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.17 119.17 22.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -108.49 -34.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -175.359 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.07 166.18 34.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.718 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.4 mt -109.4 154.58 22.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.1 m -146.49 175.63 10.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.62 171.87 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.746 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HB2' HD21 ' A' ' 31' ' ' LEU . 48.0 mtmt 65.04 10.67 6.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.258 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t 71.22 22.13 4.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.603 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 13' ' ' CYS . 1.5 mm? -82.51 145.73 29.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 174.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -124.57 140.18 53.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.9 m -73.17 113.24 10.01 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 60.1 m -112.79 130.52 56.05 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.829 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 28.1 ptt180 -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.729 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.456 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m -87.48 117.81 26.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.648 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.5 mm . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.226 -173.641 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.541 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 42.7 t . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 121.196 0.522 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -56.72 13.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.317 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.2 -35.21 77.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.046 -175.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.6 tp -84.07 -7.82 59.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.533 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 67.79 33.56 4.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.986 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.74 157.25 50.35 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.429 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -126.2 142.86 51.36 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 122.685 -0.303 . . . . 0.0 110.23 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -84.05 103.08 12.99 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -132.91 165.65 24.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.564 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -83.53 -43.5 15.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 110.711 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -118.94 134.77 54.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.99 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 24.8 m -71.29 141.2 50.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.326 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.56 -158.13 34.14 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.079 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.598 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.01 125.23 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 111.62 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.2 41.62 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.63 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 71.6 mt-10 -122.44 164.18 18.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.479 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 pt-20 -150.08 161.25 42.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.46 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.18 121.93 23.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.133 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -111.56 -34.52 2.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.91 0.386 . . . . 0.0 110.789 -176.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.462 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.32 162.81 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.344 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.6 mt -102.17 137.44 40.44 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 172.96 6.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.653 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -68.81 171.43 7.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 61.3 15.28 6.34 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.651 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p 58.68 29.36 18.48 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.878 1.271 . . . . 0.0 112.065 -174.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.55 167.1 20.5 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 171.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.05 139.6 51.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.541 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 50.7 t -79.2 115.14 18.67 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 85.0 m -110.21 136.42 49.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.278 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 31.2 ptt180 -110.12 138.6 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.572 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.469 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -82.71 113.62 20.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.836 175.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.1 mm . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.498 -174.731 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 40.2 t . . . . . 0 C--O 1.236 0.35 0 CA-C-O 121.202 0.525 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -58.17 -51.1 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.005 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -70.53 -23.36 62.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.915 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -88.17 -6.09 58.05 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.036 0.446 . . . . 0.0 110.792 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.65 41.38 1.66 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.063 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.8 169.41 12.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -129.51 130.32 45.66 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 117.184 0.492 . . . . 0.0 111.457 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 12.2 m -84.16 98.87 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.707 ' HE3' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -119.76 176.92 5.16 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.777 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.95 -54.88 5.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.615 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 7.5 p30 -122.42 139.08 54.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.203 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 21.5 m -71.45 131.28 43.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.941 -174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -158.5 34.61 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.425 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.708 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -49.08 120.84 4.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.297 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 51.4 46.98 25.68 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.774 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 50.9 mt-10 -120.16 137.19 54.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.008 0.433 . . . . 0.0 111.726 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 8.9 pt-20 -122.79 151.31 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.526 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.38 127.43 32.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.446 HG23 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -120.93 -25.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -175.119 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -158.56 160.69 36.9 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 120.857 0.361 . . . . 0.0 110.598 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -109.83 140.07 44.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.031 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.71 -176.3 3.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -90.83 172.66 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.55 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm 64.93 36.96 7.29 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.548 0.53 . . . . 0.0 111.016 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 p 52.87 29.54 7.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.263 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 79.2 mt -107.15 150.14 26.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.755 177.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -147.48 151.41 36.35 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.251 173.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 28.2 t -78.53 122.92 26.5 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.067 -171.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 94.8 m -125.91 136.77 53.43 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.447 170.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' CD ' HG23 ' A' ' 24' ' ' ILE . 70.2 mtp180 -105.89 136.47 45.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.325 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.3 m -76.93 103.45 6.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.799 0.687 . . . . 0.0 109.881 176.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.097 -175.233 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 53.2 t . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.99 -42.58 99.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.563 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -58.57 -41.71 86.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.856 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.29 -12.12 59.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.94 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttm 66.48 36.27 5.15 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.926 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.11 174.81 25.56 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.007 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -122.07 154.58 37.14 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.338 0.59 . . . . 0.0 110.861 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 16.1 m -94.51 101.19 13.08 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.803 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -131.05 170.48 14.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.474 177.572 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -88.13 -53.06 4.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.173 0.511 . . . . 0.0 110.389 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.454 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 18.8 m-80 -102.28 127.92 49.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.684 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.1 m -70.71 124.0 23.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.916 0.389 . . . . 0.0 110.112 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.76 -158.41 24.62 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.027 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.642 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -54.36 126.25 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.733 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 54.04 51.13 15.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.867 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 42.7 mt-10 -131.28 143.34 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.701 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' HG3' HG22 ' A' ' 24' ' ' ILE . 14.6 pt-20 -123.7 158.42 31.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -85.42 118.22 24.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.556 HG23 ' NE ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -116.77 -13.61 10.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -171.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -171.34 161.54 6.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.226 0.536 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.9 tm? -106.26 132.55 52.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.608 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 76.1 m -113.28 168.74 9.48 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -68.8 170.83 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.296 176.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 41.8 mtmt 68.23 9.86 7.48 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.28 0.363 . . . . 0.0 110.445 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 70.01 19.08 7.0 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.953 -174.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.7 mm? -82.07 -175.06 5.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.887 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 29.1 mttt -150.22 152.84 35.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.82 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 22.6 t -92.39 115.17 27.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -111.93 128.88 56.28 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.084 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' NE ' HG23 ' A' ' 24' ' ' ILE . 26.3 mtm180 -101.71 127.41 48.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.408 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 6.3 m -77.04 110.84 12.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.8 mm . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.568 -175.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 32.5 t . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.169 0.509 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.37 -39.36 89.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.486 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -57.72 -39.64 77.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.345 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.4 ' HG ' ' HD2' ' A' ' 35' ' ' ARG . 3.7 mm? -90.6 -5.34 56.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.147 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 63.06 28.38 16.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.107 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 -169.01 32.56 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 t -150.07 154.89 38.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 15.7 m -78.11 103.14 7.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.266 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -129.95 170.61 13.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.046 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -85.88 -53.47 5.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.133 0.492 . . . . 0.0 110.535 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -105.59 132.9 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.281 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.9 m -70.88 133.91 46.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.376 . . . . 0.0 110.129 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.35 -158.42 34.23 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.63 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.75 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -52.61 125.08 15.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.127 0.489 . . . . 0.0 111.943 179.059 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 60.32 19.16 8.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.877 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 43.2 mt-10 -107.87 138.61 43.81 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.963 0.411 . . . . 0.0 111.347 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -129.41 160.67 32.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.506 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 17' ' ' CYS . 6.0 tp -76.34 122.22 24.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.167 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.559 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -112.98 -28.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.459 -174.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.52 158.03 33.21 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.366 0.603 . . . . 0.0 111.556 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.05 112.17 24.37 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.843 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.5 m -97.01 166.75 11.45 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.779 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 14.2 mm100 -79.55 171.3 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.906 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.78 11.34 8.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.651 0.594 . . . . 0.0 110.119 -173.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.0 m 76.16 7.21 3.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.256 1.023 . . . . 0.0 112.31 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.11 168.13 20.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.469 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.7 mptt -132.47 158.21 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 46.9 t -92.41 115.91 28.51 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 61.1 m -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 18.1 ptt-85 -116.49 142.37 46.95 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.284 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -82.6 112.97 19.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.484 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.16 177.453 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.456 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 5.9 t . . . . . 0 C--O 1.236 0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -58.13 -41.29 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.392 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -67.27 -27.25 67.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.582 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.8 -4.74 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.556 0.217 . . . . 0.0 111.054 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.83 27.26 12.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.051 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.82 179.35 32.77 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.653 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -125.58 148.88 48.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 m -86.03 100.37 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HZ2' ' CD ' ' A' ' 21' ' ' GLU . 19.0 ptpt -124.15 172.87 8.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.048 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 41.4 m-80 -88.31 -52.83 5.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.876 0.37 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.17 129.23 56.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 7.1 m -74.4 147.77 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.424 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.88 -157.49 18.4 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.425 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.507 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.8 130.3 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.099 0.476 . . . . 0.0 112.143 -178.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 58.66 28.6 17.41 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.554 172.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' CD ' ' HZ2' ' A' ' 14' ' ' LYS . 43.3 mt-10 -110.23 152.61 25.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.221 0.534 . . . . 0.0 111.539 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 24' ' ' ILE . 13.9 pt-20 -127.95 156.26 42.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.52 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.692 HD11 ' CG ' ' A' ' 32' ' ' LYS . 9.4 tp -92.11 118.04 30.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.575 HG22 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -114.81 -20.86 5.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.827 -168.373 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.63 155.92 20.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.636 0.255 . . . . 0.0 110.363 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.43 119.98 41.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.984 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 88.9 m -97.53 -175.83 3.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.781 -175.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -90.22 173.27 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.186 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 67.29 15.55 9.98 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.047 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t 80.97 -4.2 1.74 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.441 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 27' ' ' CYS . 3.7 mm? -74.96 153.26 38.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 174.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.692 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.69 160.31 41.41 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 120.965 0.412 . . . . 0.0 110.966 171.01 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 23.2 t -82.52 119.38 24.15 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.422 -168.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 32.7 m -117.02 130.56 56.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.391 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' CD ' HG22 ' A' ' 24' ' ' ILE . 1.8 ptm180 -117.15 136.17 53.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.313 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 m -79.96 109.99 14.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.328 0.585 . . . . 0.0 109.802 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.4 mm . . . . . 0 C--N 1.315 -0.914 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -174.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.7 t . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -59.24 -50.89 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.815 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -58.19 -44.29 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.182 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.85 -0.59 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 66.19 40.62 3.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.627 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.04 169.34 13.06 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -116.69 147.78 41.66 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 4.4 m -88.58 106.5 18.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -118.9 174.86 6.05 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.278 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.13 -23.41 28.45 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.467 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -145.73 148.42 32.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.602 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.543 ' SG ' HD11 ' A' ' 23' ' ' LEU . 46.4 m -86.74 131.19 34.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.64 -158.18 31.42 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.363 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 120.64 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.398 0.618 . . . . 0.0 111.868 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 56.95 32.08 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.892 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 49.1 mt-10 -108.39 156.23 19.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.628 0.251 . . . . 0.0 110.462 176.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -137.7 159.15 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.473 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.543 HD11 ' SG ' ' A' ' 17' ' ' CYS . 5.0 tp -84.45 118.22 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.524 HG13 ' HB3' ' A' ' 33' ' ' CYS . 1.2 pp -113.52 -20.38 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.59 -172.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.86 158.97 13.14 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.8 tp -106.01 136.89 44.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.455 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.6 m -115.61 175.03 5.71 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.466 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -74.4 172.22 12.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 64.12 10.65 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.736 -176.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 t 76.48 7.43 3.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.752 0.821 . . . . 0.0 111.594 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.4 162.87 28.82 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.514 0.197 . . . . 0.0 110.629 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 7.5 mptt -137.1 155.18 49.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.763 0.316 . . . . 0.0 110.506 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 49.5 t -83.59 116.56 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.558 -177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.66 121.41 44.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.581 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 65.5 mtp180 -106.9 130.65 54.54 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.528 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -82.17 112.74 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.377 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 mm . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.268 -176.816 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.5 t . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.102 0.477 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.824 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -64.17 -33.03 74.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -89.77 -1.74 58.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.576 0.227 . . . . 0.0 111.243 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 66.41 32.13 7.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.205 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.26 -169.71 23.95 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.651 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 m -147.87 150.36 33.98 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.3 m -89.58 109.69 20.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -130.19 175.51 8.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.8 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.648 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 22.2 t-20 -70.36 -64.92 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.528 0.68 . . . . 0.0 110.488 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -123.48 144.45 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.331 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.468 ' SG ' HD21 ' A' ' 23' ' ' LEU . 4.0 m -71.32 144.15 50.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -177.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.43 -159.04 33.68 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.24 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.16 131.4 49.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.893 0.377 . . . . 0.0 111.984 -177.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 40.45 60.53 1.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.802 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.588 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 23.1 mt-10 -120.18 154.29 35.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.839 173.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -122.86 155.1 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.611 HD23 ' CG ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -91.7 137.25 32.52 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.603 0.716 . . . . 0.0 109.692 176.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.682 HG23 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -130.93 -30.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.181 -170.022 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.571 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -161.74 155.38 21.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' A' ' 32' ' ' LYS . 81.9 mt -107.78 133.35 52.3 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.114 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.6 m -113.79 178.12 4.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 -174.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -90.86 174.88 7.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.87 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 70.1 25.05 4.81 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.712 0.633 . . . . 0.0 111.182 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.3 t 68.5 21.33 8.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.52 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 94.6 mt -106.89 155.06 20.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.24 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.648 ' HE2' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -144.68 154.9 43.25 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.368 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 49.5 t -75.59 108.92 8.74 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.868 -173.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.0 m -111.23 127.4 55.6 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.637 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.682 ' CD ' HG23 ' A' ' 24' ' ' ILE . 2.6 ptm180 -122.93 127.05 48.39 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.299 0.571 . . . . 0.0 110.537 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.588 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -72.25 134.5 45.63 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.243 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.987 175.223 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.4 t . . . . . 0 C--O 1.236 0.356 0 CA-C-O 120.994 0.426 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -64.66 -35.79 82.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.863 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HZ3' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -68.72 -32.99 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.17 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.07 -5.25 59.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt 65.32 35.93 7.26 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.741 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.35 176.83 17.68 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.763 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -125.9 150.58 47.83 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 m -83.81 102.02 12.03 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -123.86 166.16 16.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.918 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.35 -48.66 32.41 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.706 0.288 . . . . 0.0 111.043 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.14 142.2 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.5 m -70.14 142.06 52.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.206 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.09 -158.99 34.06 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.826 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.587 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 2.6 pptp? -57.88 122.96 14.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 54.71 44.32 28.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.542 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 40.3 mt-10 -118.86 138.95 52.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -109.65 156.1 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD13 ' SG ' ' A' ' 17' ' ' CYS . 6.9 tp -82.35 116.25 21.76 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.524 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -104.62 -33.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.558 -170.058 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.524 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.52 172.78 14.94 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.935 0.398 . . . . 0.0 110.849 -174.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 49.5 tp -123.5 142.31 51.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.107 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -129.47 -177.35 4.22 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.489 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.53 170.86 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.039 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt 61.62 14.86 6.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.7 p 61.27 24.63 14.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.831 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 13' ' ' CYS . 2.0 mm? -79.04 152.5 30.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HZ2' ' HB2' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -126.66 145.18 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.093 0.473 . . . . 0.0 110.891 177.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 72.2 m -83.99 128.67 34.71 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.228 -175.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 57.9 m -121.41 135.34 55.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.129 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -117.88 134.52 54.86 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.468 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.8 m -83.18 120.69 26.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.337 -177.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mm . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 122.03 0.919 . . . . 0.0 111.926 -178.77 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.442 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 49.3 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.927 0.394 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.82 -55.03 40.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.961 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.457 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 10.2 tmtt? -60.28 -46.37 90.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.707 -179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.426 HD23 HH11 ' A' ' 35' ' ' ARG . 52.3 tp -73.04 -7.28 50.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.632 -177.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 66.32 36.03 5.53 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.066 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.42 146.69 21.04 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -100.64 131.44 46.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.654 0.264 . . . . 0.0 111.28 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.61 106.38 15.28 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HZ2' ' CD ' ' A' ' 21' ' ' GLU . 18.1 ptpt -132.73 175.43 9.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.94 -176.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -74.4 -61.41 1.88 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.431 HD21 ' C ' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -118.25 152.9 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.655 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.9 m -74.56 138.45 43.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.75 -159.13 34.86 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.052 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 129.24 40.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.98 0.419 . . . . 0.0 111.261 -177.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.15 49.68 19.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.364 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.0 mt-10 -127.13 156.66 41.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.95 0.405 . . . . 0.0 111.282 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.2 pt-20 -137.53 162.54 33.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.617 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.0 134.32 35.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.507 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -124.27 -32.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.907 -171.306 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.507 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -168.17 173.44 7.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 -174.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.61 142.24 47.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 54.2 m -120.14 172.18 7.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.465 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -72.95 171.54 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HB2' HD21 ' A' ' 31' ' ' LEU . 31.2 mtmm 67.47 15.12 9.8 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.395 0.435 . . . . 0.0 110.167 -177.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p 58.66 34.59 23.93 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.62 1.168 . . . . 0.0 112.196 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 29' ' ' LYS . 2.7 mm? -84.28 140.38 31.68 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.087 0.47 . . . . 0.0 111.132 172.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -103.26 127.39 50.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.884 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 90.8 m -75.27 108.5 8.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 49.3 m -112.51 125.82 54.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.031 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.426 HH11 HD23 ' A' ' 9' ' ' LEU . 16.7 ptt180 -102.62 136.46 42.4 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.486 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -85.91 118.49 25.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.074 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--N 1.318 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.984 -175.526 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 19.1 t . . . . . 0 C--O 1.235 0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.36 -41.26 88.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.179 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -60.97 -38.51 86.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.355 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.72 -5.87 59.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 68.17 30.46 5.73 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.636 0.585 . . . . 0.0 110.352 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.96 172.33 38.43 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 130.73 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.818 0.342 . . . . 0.0 111.402 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.593 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -86.17 100.91 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 176.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 175.02 6.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.697 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -34.26 58.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.792 0.806 . . . . 0.0 109.172 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -119.0 148.19 43.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.459 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 23.3 m -83.94 142.23 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.67 -159.74 35.89 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.763 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -58.65 126.54 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 -177.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 57.49 27.83 14.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.808 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 83.7 mt-10 -100.53 139.34 36.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.257 0.551 . . . . 0.0 112.016 -176.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.81 164.61 13.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.453 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 32' ' ' LYS . 5.1 tp -85.88 116.89 24.4 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.541 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -108.21 -26.85 3.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -171.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.541 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -169.61 167.57 9.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.266 0.555 . . . . 0.0 111.305 -177.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.76 124.2 50.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.514 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 13' ' ' CYS . 76.5 m -99.28 -179.85 4.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.553 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.21 168.12 12.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HE2' ' HB2' ' A' ' 29' ' ' LYS . 2.5 mppt? 59.54 14.53 3.96 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.882 -173.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 68.62 30.22 5.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.704 0.801 . . . . 0.0 111.086 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.3 mm? -75.25 159.93 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.449 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.545 ' HB3' HD12 ' A' ' 23' ' ' LEU . 30.4 mtmt -112.46 120.99 43.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 45.5 t -81.09 115.51 20.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.5 m -117.45 138.97 51.5 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.093 -177.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.523 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 11.0 ptt180 -117.15 133.81 55.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.593 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 m -81.24 96.54 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.898 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.032 -178.606 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 38.3 t . . . . . 0 C--O 1.239 0.513 0 CA-C-O 121.139 0.495 . . . . 0.0 110.037 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -59.85 -50.41 73.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.801 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -62.41 -44.09 97.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.063 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.83 1.03 32.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.928 -173.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 71.41 43.96 0.57 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.435 171.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.96 170.03 16.93 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -129.64 135.34 48.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.972 0.386 . . . . 0.0 110.853 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 m -81.34 111.83 18.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.972 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -134.17 175.06 9.83 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.34 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -81.95 -54.49 5.28 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.833 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -114.9 142.2 46.9 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' HD13 ' A' ' 23' ' ' LEU . 57.8 m -75.37 132.97 41.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.058 0.456 . . . . 0.0 110.74 -177.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -156.6 32.56 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 17.0 ptmt -41.48 109.56 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.449 0.7 . . . . 0.0 112.678 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 37' ' ' ILE . 2.4 t-20 43.99 57.63 4.07 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.169 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.2 mt-10 -109.66 143.21 39.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.069 176.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' HG3' ' CG2' ' A' ' 24' ' ' ILE . 24.8 pt-20 -109.06 146.84 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.12 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.696 HD12 ' CG ' ' A' ' 32' ' ' LYS . 7.9 tp -93.13 116.25 28.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.583 HG22 ' CD ' ' A' ' 35' ' ' ARG . 1.1 pp -114.85 -22.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.714 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -159.19 160.97 36.07 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.741 0.305 . . . . 0.0 110.316 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.4 mt -116.31 120.16 38.02 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.712 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.1 m -101.53 178.95 4.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.127 -171.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -83.89 171.54 12.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.102 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm 66.47 15.7 10.19 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.561 0.538 . . . . 0.0 110.586 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.7 m 77.92 -1.57 2.58 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.035 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.57 156.36 39.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.696 ' CG ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.37 157.0 44.48 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.571 172.002 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 34.6 t -81.28 111.87 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -169.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 58.7 m -107.0 128.33 54.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.184 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.583 ' CD ' HG22 ' A' ' 24' ' ' ILE . 55.1 mtp180 -108.14 123.95 49.51 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.597 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -78.65 112.62 15.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.26 0.552 . . . . 0.0 110.185 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 20' ' ' ASN . 31.9 mm . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.592 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 47.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.817 0.342 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -61.0 -42.59 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.289 0.566 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.73 -43.78 97.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.52 -3.93 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.269 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 65.01 37.92 6.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.019 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.8 152.28 22.94 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.639 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -108.56 149.81 28.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.664 0.268 . . . . 0.0 110.657 -176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.19 104.87 11.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.33 0.586 . . . . 0.0 110.159 174.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 19.2 ptpt -136.86 160.19 39.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.216 177.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -84.24 -44.79 13.54 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.635 0.731 . . . . 0.0 109.965 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 25.3 m-80 -110.09 126.78 54.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.177 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 8.4 m -70.5 137.04 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.11 -158.03 33.32 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.443 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.63 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -46.61 116.09 1.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.01 52.65 12.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.498 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 43.8 mt-10 -125.8 162.74 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.261 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -135.89 157.88 45.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.887 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -80.29 113.11 18.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.452 HG21 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -100.37 -37.48 5.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.764 -174.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.87 165.12 37.67 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.279 -175.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.9 mt -105.41 139.65 39.72 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.0 m -113.89 169.68 8.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.594 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.578 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 26.9 mm-40 -71.63 173.01 8.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.88 176.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER 50.8 27.18 2.94 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.203 1.002 . . . . 0.0 112.059 -177.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t 71.52 20.8 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.258 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.04 178.5 7.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.174 0.511 . . . . 0.0 110.858 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 152.9 38.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.885 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.564 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 96.1 m -88.65 118.92 28.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 66.8 m -117.32 129.87 56.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -112.59 137.06 51.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 63.6 m -79.3 123.53 27.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.217 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.613 -176.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.429 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 20.2 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -59.71 -42.0 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.336 0.588 . . . . 0.0 110.705 178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -58.32 -43.17 88.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.952 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.98 -4.16 58.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.041 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 65.2 34.62 8.36 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.991 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.18 173.77 26.77 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.554 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -123.33 148.98 45.45 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' HD13 ' A' ' 31' ' ' LEU . 4.2 m -87.62 100.94 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.28 175.59 6.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.407 ' HB3' ' ND2' ' A' ' 16' ' ' ASN . 17.5 t-20 -74.31 -46.58 40.11 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 122.052 0.929 . . . . 0.0 109.031 173.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 15' ' ' ASN . 19.7 m-80 -117.84 149.04 41.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.984 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.3 m -81.91 144.21 31.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.46 -159.46 34.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.899 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -66.33 129.91 41.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.639 0.257 . . . . 0.0 110.89 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 54.13 57.81 5.58 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.078 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 80.3 mt-10 -134.22 148.96 50.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.419 -178.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.27 161.56 21.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.89 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 6.5 tp -85.85 109.37 18.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.521 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -98.11 -26.7 3.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.176 -170.257 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.521 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -166.14 162.81 17.89 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.115 0.483 . . . . 0.0 110.951 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.4 tm? -117.0 132.44 56.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.121 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 21.7 m -113.02 -176.21 2.84 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.491 -172.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.31 170.16 16.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.1 mtmm 65.65 11.64 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.418 0.448 . . . . 0.0 110.424 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 m 72.04 18.53 4.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.951 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.504 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -80.31 152.38 29.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 52.2 mttt -125.36 140.18 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 99.8 m -84.35 118.64 24.35 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 120.843 0.354 . . . . 0.0 110.487 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 21.7 m -117.19 127.13 53.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HB3' HG22 ' A' ' 24' ' ' ILE . 27.1 ptt180 -110.67 139.85 45.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -81.12 117.21 21.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.974 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.1 mm . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.971 -175.222 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 48.7 t . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.131 0.491 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -62.62 -43.52 98.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -56.68 -36.46 69.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.032 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 96.6 mt -91.74 3.39 55.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.546 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? 67.46 36.21 3.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.433 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.79 149.46 16.6 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.889 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -105.67 133.83 49.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.119 0.485 . . . . 0.0 111.397 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 m -79.43 123.61 27.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.197 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -145.36 170.57 16.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -80.76 -45.58 16.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.821 0.343 . . . . 0.0 110.605 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.69 136.28 54.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 m -70.6 141.01 51.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.025 0.441 . . . . 0.0 110.839 -173.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.48 -159.36 34.84 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.391 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.71 123.49 14.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.959 0.409 . . . . 0.0 111.578 -177.661 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m120 53.14 46.6 26.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.962 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 20.1 mt-10 -110.27 159.55 17.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.179 0.514 . . . . 0.0 111.88 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.1 pt-20 -126.27 161.91 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.703 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -95.38 119.0 33.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.593 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -112.93 -22.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -171.298 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -173.24 168.13 4.73 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 121.521 0.677 . . . . 0.0 111.647 -176.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.5 mt -103.22 125.49 49.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.684 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 46.5 t -96.91 160.96 14.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.05 164.87 14.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HB2' HD21 ' A' ' 31' ' ' LEU . 30.3 mtmm 69.0 9.36 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.409 0.443 . . . . 0.0 110.177 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m 73.07 16.85 4.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.725 0.81 . . . . 0.0 112.704 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 29' ' ' LYS . 2.4 mm? -75.93 162.76 27.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 110.555 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.2 mppt? -115.96 132.39 56.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 86.3 m -77.26 113.06 14.62 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 32.2 m -118.41 131.95 56.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.593 ' CD ' HG21 ' A' ' 24' ' ' ILE . 73.4 mtp180 -113.23 131.94 55.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.555 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 23.6 m -77.8 111.73 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.419 177.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.647 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -57.1 -65.29 0.65 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.828 0.347 . . . . 0.0 111.613 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.54 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 8.4 p-10 -82.99 0.71 43.45 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.31 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -69.09 -39.74 78.85 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -70.77 -31.77 68.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.159 173.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 37.4 t -63.44 -37.4 87.12 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.945 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.41 -40.43 86.63 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.2 -37.46 87.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.519 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.41 4.93 16.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 70.97 30.47 2.77 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.711 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.492 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -87.59 127.53 8.54 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.311 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -94.42 133.57 37.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.665 0.269 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.8 m -81.14 107.57 14.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 110.234 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -127.17 170.49 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.759 178.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -58.75 3.09 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.068 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.461 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 8.2 p30 -113.65 137.98 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.031 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 17.9 m -71.41 137.37 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.0 -157.03 30.88 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.892 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HE3' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -42.71 112.99 0.41 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.092 0.957 . . . . 0.0 112.72 -179.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.4 m120 58.28 17.25 4.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.215 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.543 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 44.7 mt-10 -95.07 138.8 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.8 pt-20 -122.61 155.77 35.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 HD11 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tt -82.04 117.03 21.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.539 HG22 ' CD ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -114.03 -21.51 5.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -174.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.1 20.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.087 0.47 . . . . 0.0 111.033 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -99.11 118.09 35.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.617 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' HG ' ' CG ' ' A' ' 3' ' ' ASP . 55.8 m -97.26 179.7 4.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.341 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -84.57 171.86 12.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' HB2' HD21 ' A' ' 31' ' ' LEU . 40.6 mtmt 64.3 15.11 9.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.7 m 74.28 13.63 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.501 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -79.82 152.74 29.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.691 0.281 . . . . 0.0 110.249 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -129.89 135.47 48.4 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -74.81 108.62 7.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.575 -179.361 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 39.3 m -109.78 128.04 55.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.029 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 78.0 mtp180 -96.54 131.85 42.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.319 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 9.5 m -79.58 89.39 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.682 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.509 HG22 HG21 ' A' ' 44' ' ' ILE . 38.3 mm -71.73 144.04 13.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.725 -173.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.43 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 9.5 pt20 -82.36 128.53 66.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.412 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 4.9 Cg_exo -81.12 -172.68 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.163 2.575 . . . . 0.0 112.247 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.2 t 80.77 -47.18 0.27 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.883 0.873 . . . . 0.0 110.999 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.49 177.07 26.91 Favored Glycine 0 C--N 1.317 -0.497 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -71.67 77.76 0.83 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.03 0.443 . . . . 0.0 111.323 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.4 ' HB ' HD13 ' A' ' 44' ' ' ILE . 2.6 pt 38.48 -114.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.366 -1.288 . . . . 0.0 113.092 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.509 HG21 HG22 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -132.83 10.77 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 120.914 0.388 . . . . 0.0 110.773 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.247 -175.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.413 0.149 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -55.19 -55.52 30.27 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -175.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.438 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 7.4 p-10 -88.12 2.2 52.59 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.974 -0.69 . . . . 0.0 111.644 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -72.58 -38.4 67.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 168.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -66.84 -41.53 87.25 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.242 171.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.502 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 32.0 t -58.01 -41.82 83.9 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.511 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.87 -44.66 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.479 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.94 -43.2 91.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.232 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.49 -1.62 56.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.442 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 60.15 39.59 19.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.95 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.57 174.74 29.71 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.249 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -128.74 134.29 48.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.613 0.245 . . . . 0.0 110.737 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.45 108.54 13.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.859 0.361 . . . . 0.0 110.178 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -133.54 174.23 10.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.488 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -89.54 -53.27 4.61 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.893 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -111.04 130.16 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.416 . . . . 0.0 110.309 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.457 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 55.5 m -71.61 135.53 46.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.025 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.49 -158.17 33.34 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.47 111.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 112.849 -176.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.06 52.82 11.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.03 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.571 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.6 mt-10 -119.76 143.25 47.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.509 177.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 10.1 pt-20 -118.96 155.27 31.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.309 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.599 ' HG ' ' HD2' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -91.49 107.89 19.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.59 HG22 ' CD ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -108.76 -20.84 5.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.701 -166.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HB1' ' SG ' ' A' ' 33' ' ' CYS . . . -158.55 164.3 36.23 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD21 ' HE3' ' A' ' 32' ' ' LYS . 2.5 tm? -115.08 133.37 56.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.58 0.705 . . . . 0.0 110.088 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.1 m -119.17 -179.71 3.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.764 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -75.04 169.44 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HB2' HD21 ' A' ' 31' ' ' LEU . 33.7 mtmm 65.48 12.79 8.43 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -177.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m 74.45 12.34 3.92 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 29' ' ' LYS . 2.9 mm? -74.12 154.33 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.536 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.599 ' HD2' ' HG ' ' A' ' 23' ' ' LEU . 9.5 mttp -131.03 153.05 49.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' HB2' HG13 ' A' ' 24' ' ' ILE . 69.5 m -80.84 118.64 22.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 99.1 m -102.76 129.46 49.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.044 174.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.59 ' CD ' HG22 ' A' ' 24' ' ' ILE . 18.1 mtm180 -100.76 124.08 45.89 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.571 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.2 m -79.0 92.62 4.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.973 0.796 . . . . 0.0 109.951 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.481 ' CG2' HG12 ' A' ' 44' ' ' ILE . 30.2 mm -67.94 122.76 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.741 -174.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -85.78 135.79 37.51 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.254 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.83 121.97 10.08 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.313 2.009 . . . . 0.0 111.097 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 t 72.84 2.57 4.42 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.791 0.682 . . . . 0.0 111.123 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.6 150.93 51.21 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.341 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 33.9 m -77.37 172.84 12.67 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 122.669 -0.312 . . . . 0.0 110.992 -178.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.426 ' HB ' ' O ' ' A' ' 42' ' ' SER . 67.6 mt 78.22 -15.09 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.664 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.481 HG12 ' CG2' ' A' ' 37' ' ' ILE . 2.0 tp -144.17 -51.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.512 -175.143 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.31 0.1 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -57.84 -60.18 4.1 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.115 0.483 . . . . 0.0 110.796 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.513 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 11.2 p-10 -83.11 -1.59 53.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.568 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.07 -41.74 77.15 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -73.27 -27.61 61.66 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.747 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.583 ' SG ' HD11 ' A' ' 24' ' ' ILE . 8.2 t -63.53 -42.06 98.46 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -61.04 -32.47 72.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.424 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.66 -37.84 79.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.188 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.45 12.6 3.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.478 0.656 . . . . 0.0 110.233 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.8 mmtp 72.56 29.21 2.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.549 169.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.62 84.82 0.5 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 p -71.28 145.53 49.48 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.205 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.681 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 3.2 m -81.09 99.24 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.177 0.513 . . . . 0.0 110.528 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HA ' HD13 ' A' ' 31' ' ' LEU . 19.1 ptpt -133.91 163.01 30.48 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.82 174.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -81.47 -46.5 14.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.147 0.498 . . . . 0.0 110.781 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -116.83 142.21 47.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.367 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.476 ' SG ' HD11 ' A' ' 23' ' ' LEU . 28.6 m -77.78 132.62 38.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.565 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.93 -156.22 31.93 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.97 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 127.61 23.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.044 0.449 . . . . 0.0 111.412 -179.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' O ' HG12 ' A' ' 37' ' ' ILE . 3.6 m-20 56.51 28.61 14.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.019 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 47.6 mt-10 -113.56 142.51 45.87 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.899 -0.72 . . . . 0.0 112.098 -176.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.3 pt-20 -124.45 155.5 38.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.543 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD11 ' SG ' ' A' ' 17' ' ' CYS . 6.1 tp -88.37 114.83 25.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.583 HD11 ' SG ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -114.63 -20.33 6.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.749 -171.307 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . . . -165.8 165.13 18.62 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 111.078 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.12 139.28 37.95 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.911 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.5 m -112.83 176.85 4.84 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -84.98 173.12 10.79 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt 66.19 13.69 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.511 0.507 . . . . 0.0 110.731 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 m 77.61 9.18 2.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.964 0.906 . . . . 0.0 112.239 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 14' ' ' LYS . 3.5 mm? -84.26 166.73 17.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 122.391 -0.193 . . . . 0.0 110.588 175.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.1 mptt -134.16 163.25 30.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 60.8 m -88.75 104.23 16.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.279 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 73.4 m -105.65 117.87 35.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.932 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.64 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 69.8 mtp180 -92.65 128.42 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.135 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.45 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.9 m -81.56 104.01 11.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 109.689 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.44 HD13 HG23 ' A' ' 44' ' ' ILE . 43.7 mm -70.79 108.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.133 -175.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -106.96 133.0 20.47 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.546 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.88 119.27 5.99 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.909 2.406 . . . . 0.0 112.013 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.6 p -172.33 171.56 4.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.123 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.21 135.89 13.91 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.66 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 m 69.04 -177.29 0.21 Allowed 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.903 0.481 . . . . 0.0 110.853 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.2 mm 73.77 -61.96 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 123.116 0.567 . . . . 0.0 110.727 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG23 HD13 ' A' ' 37' ' ' ILE . 13.5 tt -170.18 148.51 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.426 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.226 177.508 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.418 0.151 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -58.89 -51.85 68.25 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.105 0.479 . . . . 0.0 110.91 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.496 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 3.4 p30 -85.94 -1.05 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.564 -177.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.69 -41.68 78.83 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 168.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -68.68 -36.14 78.14 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.316 172.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 34.1 t -59.43 -40.99 88.53 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.218 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -60.88 -45.95 92.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.647 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -53.53 -44.96 69.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.669 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.78 -9.85 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.45 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 57.87 46.99 15.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.942 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 176.53 31.15 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.982 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -127.24 130.4 49.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.971 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -75.13 107.66 7.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.768 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -132.55 174.5 10.21 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.356 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -80.85 -51.63 8.39 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.122 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -118.53 137.73 53.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.47 ' SG ' HD11 ' A' ' 23' ' ' LEU . 35.5 m -69.07 141.18 54.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 -171.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.29 -159.75 28.31 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.27 118.99 7.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.305 0.574 . . . . 0.0 111.111 -177.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.435 HD21 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 57.91 53.22 7.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.257 177.362 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 86.9 mt-10 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -127.84 162.03 27.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.835 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.585 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 1.3 tp -83.41 111.87 19.42 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -98.61 -35.29 4.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.451 -175.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.54 158.53 34.15 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.074 0.464 . . . . 0.0 111.514 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.59 115.34 29.93 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.461 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 99.3 m -97.03 175.74 6.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.336 -172.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.66 171.08 13.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.073 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HB2' HD23 ' A' ' 31' ' ' LEU . 44.7 mtmt 61.0 18.85 9.33 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.2 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 p 59.89 21.41 10.38 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.134 1.373 . . . . 0.0 112.618 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.5 mm? -75.12 159.17 31.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.09 0.472 . . . . 0.0 110.74 173.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 12.8 mptt -115.45 134.98 54.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.132 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 42.3 t -81.09 114.53 20.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 35.7 m -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.099 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -106.37 132.6 52.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.325 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.493 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -77.61 123.17 26.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.8 mm -69.64 118.09 13.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.48 0.657 . . . . 0.0 111.597 -173.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -77.7 142.56 66.04 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.909 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.1 117.94 4.29 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.243 1.962 . . . . 0.0 110.828 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.0 m -122.86 164.99 17.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.776 -173.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.95 119.47 8.11 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.3 m 69.19 123.39 0.03 OUTLIER 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.189 0.595 . . . . 0.0 110.881 -173.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.4 mt 76.99 132.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.994 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.7 tt 44.15 97.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.187 1.395 . . . . 0.0 114.335 172.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.005 176.126 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.261 0.077 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -48.68 -55.16 12.13 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.548 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 8.0 p-10 -93.92 3.23 55.67 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.622 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.09 -38.62 63.83 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 168.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -73.0 -33.18 65.61 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.404 173.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.548 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 36.4 t -62.19 -45.34 93.82 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.268 0.556 . . . . 0.0 109.812 175.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -58.89 -44.4 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.648 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -60.23 -38.33 83.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.126 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.43 -0.59 57.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 61.06 38.88 16.85 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.866 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.76 165.28 25.67 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -117.04 147.96 41.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.009 0.404 . . . . 0.0 110.472 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 8.7 m -87.92 105.97 17.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -129.68 175.49 8.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.388 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -74.64 -69.51 0.46 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.748 0.785 . . . . 0.0 110.56 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -112.61 144.73 41.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.613 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.444 ' SG ' HD13 ' A' ' 23' ' ' LEU . 31.1 m -71.41 135.23 47.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.421 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.79 -158.62 34.19 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.591 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.95 129.83 41.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.909 0.385 . . . . 0.0 111.294 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.433 ' O ' ' HA ' ' A' ' 36' ' ' THR . 17.0 m120 53.01 55.17 9.3 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.557 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 41.8 mt-10 -136.28 152.62 50.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.03 0.443 . . . . 0.0 111.261 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -131.03 164.9 24.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.949 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.444 HD13 ' SG ' ' A' ' 17' ' ' CYS . 3.9 tp -89.44 109.63 20.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.238 0.542 . . . . 0.0 109.635 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -98.09 -33.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.288 -170.726 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.407 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.16 165.12 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.16 0.505 . . . . 0.0 111.265 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.94 124.5 52.52 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.175 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 3' ' ' ASP . 31.8 m -111.24 165.89 11.55 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.052 0.453 . . . . 0.0 111.26 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 78.3 mt-30 -71.87 172.17 10.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.859 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.04 9.74 7.15 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.396 -172.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.7 m 76.01 0.72 3.36 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.2 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.65 149.89 48.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 2.1 mptp? -120.39 152.67 37.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 27' ' ' CYS . 94.7 m -86.83 120.59 28.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.423 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 82.1 m -114.35 132.8 56.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.9 177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -114.69 134.74 54.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.987 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 20' ' ' ASN . 15.6 m -80.74 120.12 24.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.627 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mm -71.39 132.54 33.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.37 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -94.67 129.46 36.25 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.234 173.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 40' ' ' SER . 74.4 Cg_exo -50.04 132.38 32.72 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.804 2.336 . . . . 0.0 111.94 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 39' ' ' PRO . 35.9 t 74.77 -2.78 2.75 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.815 0.697 . . . . 0.0 110.931 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.45 137.63 27.85 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.161 -0.543 . . . . 0.0 111.989 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -96.95 -170.14 1.99 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.5 mt 76.44 -42.38 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.952 0.501 . . . . 0.0 111.936 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -72.99 173.6 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.547 -176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.732 -178.685 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.501 0.191 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -55.56 -55.33 33.16 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 10.2 p-10 -90.93 8.4 35.31 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.669 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.32 -36.14 46.75 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 165.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -67.11 -39.54 86.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.151 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.403 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 21.5 t -61.32 -42.98 99.56 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.541 176.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -62.58 -49.89 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.869 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -53.48 -45.63 69.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 43' ' ' ILE . 81.8 mt -82.11 -11.5 58.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm 62.68 42.39 8.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.904 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.4 177.24 29.57 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -131.09 154.31 48.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.356 0.598 . . . . 0.0 111.162 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.536 ' O ' HD13 ' A' ' 31' ' ' LEU . 3.8 m -89.35 110.38 21.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.174 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' HZ3' ' CD ' ' A' ' 21' ' ' GLU . 18.8 ptpt -127.6 166.94 17.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.901 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -76.58 -50.9 12.7 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -119.63 135.65 54.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.767 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 33.9 m -69.83 134.89 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.993 0.425 . . . . 0.0 110.488 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.22 -158.8 33.04 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.316 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.71 133.12 55.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 111.141 -178.362 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 51.53 52.26 15.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.332 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.456 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.7 mt-10 -132.55 161.62 33.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.179 0.514 . . . . 0.0 111.288 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -143.39 159.16 42.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.223 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.17 119.17 22.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -108.49 -34.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -175.359 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.07 166.18 34.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.718 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.4 mt -109.4 154.58 22.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.1 m -146.49 175.63 10.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.62 171.87 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.746 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HB2' HD21 ' A' ' 31' ' ' LEU . 48.0 mtmt 65.04 10.67 6.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.258 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t 71.22 22.13 4.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.603 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 13' ' ' CYS . 1.5 mm? -82.51 145.73 29.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 174.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -124.57 140.18 53.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 83.9 m -73.17 113.24 10.01 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 60.1 m -112.79 130.52 56.05 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.829 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 28.1 ptt180 -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.729 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.456 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m -87.48 117.81 26.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.648 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.5 mm -62.19 99.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.226 -173.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.576 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 98.6 mt-30 -81.54 176.22 4.05 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 114.362 -1.29 . . . . 0.0 108.195 170.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.576 ' HD2' ' HB3' ' A' ' 38' ' ' GLN . 21.2 Cg_exo -38.21 146.51 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.547 2.165 . . . . 0.0 113.203 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -55.95 -20.77 17.53 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -168.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.61 118.84 4.96 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.723 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.9 m 72.37 165.15 0.29 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.37 0.668 . . . . 0.0 111.433 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.434 ' HA ' HD22 ' A' ' 9' ' ' LEU . 48.0 mm 68.89 -74.48 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.215 0.606 . . . . 0.0 111.465 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.432 HD12 HG22 ' A' ' 44' ' ' ILE . 4.2 tt -98.23 147.4 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--O 1.248 1.003 0 O-C-N 123.602 0.564 . . . . 0.0 110.465 -177.339 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.496 0.189 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -56.48 -40.72 75.37 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.422 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 5.3 p-10 -94.9 5.39 52.04 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.962 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -73.94 -39.86 63.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 164.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -63.57 -44.58 93.68 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.496 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.541 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 42.7 t -54.44 -42.25 70.35 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.196 0.522 . . . . 0.0 110.665 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -56.72 13.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.317 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.2 -35.21 77.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.046 -175.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.6 tp -84.07 -7.82 59.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.533 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 67.79 33.56 4.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.986 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.74 157.25 50.35 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.429 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -126.2 142.86 51.36 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 122.685 -0.303 . . . . 0.0 110.23 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -84.05 103.08 12.99 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -132.91 165.65 24.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.564 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -83.53 -43.5 15.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 110.711 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -118.94 134.77 54.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.99 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 24.8 m -71.29 141.2 50.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.326 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.56 -158.13 34.14 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.079 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.598 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.01 125.23 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 111.62 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.2 41.62 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.63 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 71.6 mt-10 -122.44 164.18 18.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.479 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 pt-20 -150.08 161.25 42.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.46 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.18 121.93 23.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.133 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -111.56 -34.52 2.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.91 0.386 . . . . 0.0 110.789 -176.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.32 162.81 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.344 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.6 mt -102.17 137.44 40.44 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 172.96 6.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.653 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -68.81 171.43 7.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt 61.3 15.28 6.34 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.651 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p 58.68 29.36 18.48 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.878 1.271 . . . . 0.0 112.065 -174.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -80.55 167.1 20.5 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 171.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.05 139.6 51.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.541 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 50.7 t -79.2 115.14 18.67 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 85.0 m -110.21 136.42 49.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.278 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.498 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 31.2 ptt180 -110.12 138.6 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.572 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.469 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -82.71 113.62 20.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.836 175.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 44' ' ' ILE . 23.1 mm -65.66 105.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.498 -174.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -105.45 132.83 20.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.728 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.61 122.6 10.29 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.78 2.32 . . . . 0.0 112.464 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 m -135.06 -145.27 0.22 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.03 122.65 30.93 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m 60.51 -144.8 0.49 Allowed 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -170.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 44' ' ' ILE . 1.2 pt -79.86 -82.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.82 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.503 HG23 HG23 ' A' ' 37' ' ' ILE . 5.7 pt -147.98 -171.88 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.33 -174.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.776 176.182 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 111.316 0.117 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -58.84 -56.73 18.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.664 0.269 . . . . 0.0 111.555 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.524 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 10.2 p-10 -89.07 0.59 56.57 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.768 -175.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -67.4 -45.29 76.62 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 166.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HB2' ' HZ2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -66.78 -37.21 84.12 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.925 173.214 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 40.2 t -57.97 -49.11 77.92 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.202 0.525 . . . . 0.0 110.375 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -58.17 -51.1 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.005 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -70.53 -23.36 62.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.915 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -88.17 -6.09 58.05 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.036 0.446 . . . . 0.0 110.792 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.65 41.38 1.66 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.063 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.8 169.41 12.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -129.51 130.32 45.66 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 117.184 0.492 . . . . 0.0 111.457 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 12.2 m -84.16 98.87 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.707 ' HE3' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -119.76 176.92 5.16 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.777 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.95 -54.88 5.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.615 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 7.5 p30 -122.42 139.08 54.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.203 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 21.5 m -71.45 131.28 43.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.941 -174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -158.5 34.61 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.425 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.708 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -49.08 120.84 4.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.297 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 51.4 46.98 25.68 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.774 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 50.9 mt-10 -120.16 137.19 54.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.008 0.433 . . . . 0.0 111.726 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 8.9 pt-20 -122.79 151.31 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.526 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.38 127.43 32.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.446 HG23 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -120.93 -25.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -175.119 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -158.56 160.69 36.9 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 120.857 0.361 . . . . 0.0 110.598 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -109.83 140.07 44.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.031 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.71 -176.3 3.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -90.83 172.66 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.55 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm 64.93 36.96 7.29 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.548 0.53 . . . . 0.0 111.016 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 p 52.87 29.54 7.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.263 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 79.2 mt -107.15 150.14 26.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.755 177.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -147.48 151.41 36.35 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.251 173.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 28.2 t -78.53 122.92 26.5 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.067 -171.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 94.8 m -125.91 136.77 53.43 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.447 170.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' CD ' HG23 ' A' ' 24' ' ' ILE . 70.2 mtp180 -105.89 136.47 45.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.325 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.3 m -76.93 103.45 6.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.799 0.687 . . . . 0.0 109.881 176.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.426 HD11 HG22 ' A' ' 44' ' ' ILE . 35.0 mm -79.22 112.54 17.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.097 -175.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -107.07 129.73 23.91 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.762 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 40' ' ' SER . 34.2 Cg_exo -60.25 139.55 87.58 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.679 2.253 . . . . 0.0 111.336 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 39' ' ' PRO . 60.0 m 72.33 0.23 3.51 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.716 0.635 . . . . 0.0 111.449 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.17 175.33 42.65 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.127 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -76.13 150.81 37.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.773 0.32 . . . . 0.0 110.517 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.9 mt 71.7 -66.23 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.027 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.426 HG22 HD11 ' A' ' 37' ' ' ILE . 13.0 tt -122.13 138.38 52.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.938 0.399 . . . . 0.0 111.282 -174.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.213 -178.683 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.199 0.047 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -50.98 -58.77 5.19 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.822 0.344 . . . . 0.0 111.629 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.461 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 8.5 p-10 -87.5 -2.09 58.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.631 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.74 -35.98 72.93 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -74.25 -32.75 63.07 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.369 173.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 53.2 t -57.65 -43.05 84.66 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.013 175.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.99 -42.58 99.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.563 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -58.57 -41.71 86.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.856 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.29 -12.12 59.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.94 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttm 66.48 36.27 5.15 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.926 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.11 174.81 25.56 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.007 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -122.07 154.58 37.14 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.338 0.59 . . . . 0.0 110.861 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 16.1 m -94.51 101.19 13.08 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.803 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -131.05 170.48 14.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.474 177.572 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -88.13 -53.06 4.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.173 0.511 . . . . 0.0 110.389 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.454 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 18.8 m-80 -102.28 127.92 49.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.684 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.1 m -70.71 124.0 23.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.916 0.389 . . . . 0.0 110.112 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.76 -158.41 24.62 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.027 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.642 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -54.36 126.25 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.733 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 54.04 51.13 15.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.867 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 42.7 mt-10 -131.28 143.34 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.701 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' HG3' HG22 ' A' ' 24' ' ' ILE . 14.6 pt-20 -123.7 158.42 31.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.435 HD13 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -85.42 118.22 24.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.556 HG23 ' NE ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -116.77 -13.61 10.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -171.705 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -171.34 161.54 6.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.226 0.536 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.9 tm? -106.26 132.55 52.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.608 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 76.1 m -113.28 168.74 9.48 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -68.8 170.83 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.296 176.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 41.8 mtmt 68.23 9.86 7.48 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.28 0.363 . . . . 0.0 110.445 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 70.01 19.08 7.0 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.953 -174.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.7 mm? -82.07 -175.06 5.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.887 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 29.1 mttt -150.22 152.84 35.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.82 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 22.6 t -92.39 115.17 27.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -111.93 128.88 56.28 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.084 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' NE ' HG23 ' A' ' 24' ' ' ILE . 26.3 mtm180 -101.71 127.41 48.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.408 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 6.3 m -77.04 110.84 12.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.419 HD13 HD11 ' A' ' 44' ' ' ILE . 34.8 mm -69.57 100.91 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.568 -175.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -110.51 130.36 22.97 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 114.657 -1.156 . . . . 0.0 108.531 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.2 118.24 3.44 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.521 2.147 . . . . 0.0 111.991 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.6 m -134.67 166.91 21.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.227 -176.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.05 118.86 5.06 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 t 65.46 -171.77 0.19 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.3 mt 68.99 -72.1 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.173 0.589 . . . . 0.0 111.204 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.419 HD11 HD13 ' A' ' 37' ' ' ILE . 19.8 tt -169.96 156.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.288 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.058 -0.972 . . . . 0.0 109.771 178.439 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 111.188 0.07 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -53.57 -59.53 4.48 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.505 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 7.1 p-10 -88.54 5.63 41.82 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.833 -177.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 36.1 tt0 -75.1 -42.71 56.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -64.0 -35.64 81.38 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.768 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 32.5 t -61.47 -39.85 92.38 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.102 176.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.37 -39.36 89.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.486 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 34.7 mmtp -57.72 -39.64 77.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.345 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' HG ' ' HD2' ' A' ' 35' ' ' ARG . 3.7 mm? -90.6 -5.34 56.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.147 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 63.06 28.38 16.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.107 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 -169.01 32.56 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 t -150.07 154.89 38.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 15.7 m -78.11 103.14 7.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.266 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -129.95 170.61 13.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.046 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -85.88 -53.47 5.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.133 0.492 . . . . 0.0 110.535 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -105.59 132.9 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.281 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.9 m -70.88 133.91 46.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.376 . . . . 0.0 110.129 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.35 -158.42 34.23 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.63 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.75 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -52.61 125.08 15.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.127 0.489 . . . . 0.0 111.943 179.059 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 60.32 19.16 8.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.877 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 43.2 mt-10 -107.87 138.61 43.81 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.963 0.411 . . . . 0.0 111.347 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -129.41 160.67 32.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.506 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD13 ' SG ' ' A' ' 17' ' ' CYS . 6.0 tp -76.34 122.22 24.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.167 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.559 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -112.98 -28.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.459 -174.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.52 158.03 33.21 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.366 0.603 . . . . 0.0 111.556 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.05 112.17 24.37 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.843 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.5 m -97.01 166.75 11.45 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.779 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 14.2 mm100 -79.55 171.3 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.906 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.78 11.34 8.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.651 0.594 . . . . 0.0 110.119 -173.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.0 m 76.16 7.21 3.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.256 1.023 . . . . 0.0 112.31 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.11 168.13 20.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.469 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.7 mptt -132.47 158.21 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.526 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 46.9 t -92.41 115.91 28.51 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.556 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 61.1 m -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 18.1 ptt-85 -116.49 142.37 46.95 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.284 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -82.6 112.97 19.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.484 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.525 HD12 HG21 ' A' ' 44' ' ' ILE . 2.2 mm -63.18 110.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.16 177.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 53.7 mt-30 -111.55 128.31 25.59 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.429 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 18.7 Cg_exo -67.89 120.01 7.01 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.761 2.307 . . . . 0.0 112.544 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.1 m -153.0 -160.28 1.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.7 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.28 123.17 31.6 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.92 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 t 62.71 -145.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 pt -80.86 -178.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.019 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.525 HG21 HD12 ' A' ' 37' ' ' ILE . 9.4 tt -74.93 124.34 32.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.678 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.406 -177.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 t80 . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.764 0.316 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -61.88 -45.66 92.8 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.924 -173.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 4.2 p30 -91.23 0.49 57.52 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.613 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -65.74 -44.82 84.82 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 168.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -65.75 -44.02 87.18 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.773 173.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 3' ' ' ASP . 5.9 t -58.37 -48.51 80.36 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.816 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -58.13 -41.29 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.392 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -67.27 -27.25 67.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.582 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -97.8 -4.74 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.556 0.217 . . . . 0.0 111.054 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.83 27.26 12.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.051 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.82 179.35 32.77 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.653 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -125.58 148.88 48.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 m -86.03 100.37 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HZ2' ' CD ' ' A' ' 21' ' ' GLU . 19.0 ptpt -124.15 172.87 8.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.048 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 41.4 m-80 -88.31 -52.83 5.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.876 0.37 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.17 129.23 56.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 7.1 m -74.4 147.77 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.424 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.88 -157.49 18.4 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.425 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.8 130.3 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.099 0.476 . . . . 0.0 112.143 -178.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 58.66 28.6 17.41 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.554 172.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' CD ' ' HZ2' ' A' ' 14' ' ' LYS . 43.3 mt-10 -110.23 152.61 25.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.221 0.534 . . . . 0.0 111.539 179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' HG3' HG21 ' A' ' 24' ' ' ILE . 13.9 pt-20 -127.95 156.26 42.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.52 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.692 HD11 ' CG ' ' A' ' 32' ' ' LYS . 9.4 tp -92.11 118.04 30.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.575 HG22 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -114.81 -20.86 5.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.827 -168.373 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.63 155.92 20.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.636 0.255 . . . . 0.0 110.363 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.43 119.98 41.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.984 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 88.9 m -97.53 -175.83 3.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.781 -175.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -90.22 173.27 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.186 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 67.29 15.55 9.98 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.047 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t 80.97 -4.2 1.74 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.441 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 27' ' ' CYS . 3.7 mm? -74.96 153.26 38.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 174.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.692 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.69 160.31 41.41 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 120.965 0.412 . . . . 0.0 110.966 171.01 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 23.2 t -82.52 119.38 24.15 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.422 -168.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.534 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 32.7 m -117.02 130.56 56.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.391 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' CD ' HG22 ' A' ' 24' ' ' ILE . 1.8 ptm180 -117.15 136.17 53.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.313 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 m -79.96 109.99 14.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.328 0.585 . . . . 0.0 109.802 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.425 HG23 HG22 ' A' ' 44' ' ' ILE . 35.4 mm -73.82 126.21 34.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -174.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.529 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 21.4 mt-30 -75.28 171.81 10.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.471 175.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 38' ' ' GLN . 66.0 Cg_exo -42.45 146.08 0.82 Allowed 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.68 2.253 . . . . 0.0 112.937 176.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -67.85 -12.81 61.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.779 -173.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.98 116.5 4.28 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 119.863 -1.16 . . . . 0.0 111.592 176.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 m 65.6 159.45 0.12 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.092 0.557 . . . . 0.0 111.8 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.5 mt 74.32 -66.68 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.292 0.637 . . . . 0.0 111.694 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG22 HG23 ' A' ' 37' ' ' ILE . 6.2 tt -141.94 130.42 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.992 0.425 . . . . 0.0 110.806 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.326 178.666 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -58.42 -45.92 87.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 110.686 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.427 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 4.0 p30 -88.14 3.23 49.95 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.587 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.22 -34.53 59.23 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 169.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -69.43 -37.84 77.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.356 170.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.7 t -57.7 -42.7 84.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 109.622 174.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -59.24 -50.89 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.815 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -58.19 -44.29 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.182 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.85 -0.59 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 66.19 40.62 3.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.627 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.04 169.34 13.06 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -116.69 147.78 41.66 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 4.4 m -88.58 106.5 18.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -118.9 174.86 6.05 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.278 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.13 -23.41 28.45 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.467 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -145.73 148.42 32.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.602 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.543 ' SG ' HD11 ' A' ' 23' ' ' LEU . 46.4 m -86.74 131.19 34.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.64 -158.18 31.42 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.363 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 120.64 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.398 0.618 . . . . 0.0 111.868 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 56.95 32.08 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.892 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 49.1 mt-10 -108.39 156.23 19.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.628 0.251 . . . . 0.0 110.462 176.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -137.7 159.15 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.473 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.543 HD11 ' SG ' ' A' ' 17' ' ' CYS . 5.0 tp -84.45 118.22 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.524 HG13 ' HB3' ' A' ' 33' ' ' CYS . 1.2 pp -113.52 -20.38 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.59 -172.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.86 158.97 13.14 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.8 tp -106.01 136.89 44.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.455 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.6 m -115.61 175.03 5.71 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.466 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -74.4 172.22 12.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 64.12 10.65 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.736 -176.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 t 76.48 7.43 3.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.752 0.821 . . . . 0.0 111.594 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.4 162.87 28.82 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.514 0.197 . . . . 0.0 110.629 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 7.5 mptt -137.1 155.18 49.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.763 0.316 . . . . 0.0 110.506 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 49.5 t -83.59 116.56 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.558 -177.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.66 121.41 44.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.581 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 65.5 mtp180 -106.9 130.65 54.54 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.528 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -82.17 112.74 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.377 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.57 ' HA ' HG21 ' A' ' 44' ' ' ILE . 2.5 mm -54.09 119.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.268 -176.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.73 132.01 59.02 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.395 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.5 178.08 8.06 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.87 2.38 . . . . 0.0 112.189 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m 73.64 -61.64 0.49 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.374 0.67 . . . . 0.0 112.06 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.66 119.61 5.32 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.72 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p 42.01 -114.6 0.27 Allowed 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.534 0.734 . . . . 0.0 111.992 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.558 HG13 ' H ' ' A' ' 44' ' ' ILE . 1.9 pt -140.37 -88.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.066 175.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 37' ' ' ILE . 2.6 pt -129.31 29.25 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.77 0.795 . . . . 0.0 109.723 176.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--O 1.246 0.873 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.251 -179.67 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 111.177 0.066 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -55.35 -47.79 75.21 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.755 0.312 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.496 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 6.6 p-10 -93.76 1.84 56.4 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.951 -0.699 . . . . 0.0 112.009 -178.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -72.18 -39.14 68.86 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 166.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.31 -44.17 92.43 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.276 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.5 t -56.35 -43.93 79.56 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.54 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.824 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -64.17 -33.03 74.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -89.77 -1.74 58.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.576 0.227 . . . . 0.0 111.243 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 66.41 32.13 7.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.205 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.26 -169.71 23.95 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.651 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 m -147.87 150.36 33.98 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.3 m -89.58 109.69 20.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -130.19 175.51 8.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.8 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.648 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 22.2 t-20 -70.36 -64.92 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.528 0.68 . . . . 0.0 110.488 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -123.48 144.45 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.331 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.468 ' SG ' HD21 ' A' ' 23' ' ' LEU . 4.0 m -71.32 144.15 50.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -177.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.43 -159.04 33.68 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.24 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.475 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.16 131.4 49.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.893 0.377 . . . . 0.0 111.984 -177.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 40.45 60.53 1.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.802 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.588 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 23.1 mt-10 -120.18 154.29 35.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.839 173.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -122.86 155.1 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.611 HD23 ' CG ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -91.7 137.25 32.52 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.603 0.716 . . . . 0.0 109.692 176.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.682 HG23 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -130.93 -30.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.181 -170.022 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -161.74 155.38 21.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HB2' ' A' ' 32' ' ' LYS . 81.9 mt -107.78 133.35 52.3 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.114 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.6 m -113.79 178.12 4.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 -174.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -90.86 174.88 7.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.87 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 70.1 25.05 4.81 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.712 0.633 . . . . 0.0 111.182 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.3 t 68.5 21.33 8.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.52 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 94.6 mt -106.89 155.06 20.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.24 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.648 ' HE2' ' O ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -144.68 154.9 43.25 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.368 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.564 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 49.5 t -75.59 108.92 8.74 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.868 -173.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.0 m -111.23 127.4 55.6 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.637 175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.682 ' CD ' HG23 ' A' ' 24' ' ' ILE . 2.6 ptm180 -122.93 127.05 48.39 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.299 0.571 . . . . 0.0 110.537 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.588 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -72.25 134.5 45.63 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.243 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.508 ' HA ' HD12 ' A' ' 44' ' ' ILE . 8.5 mm -55.88 123.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.987 175.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.94 155.79 29.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.801 -173.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.94 -171.19 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 123.598 2.866 . . . . 0.0 113.799 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 m -45.03 -40.67 6.81 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -175.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.78 117.13 8.39 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.547 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.2 m 55.38 -168.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.278 0.631 . . . . 0.0 112.177 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.4 pt -93.87 -167.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.752 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 37' ' ' ILE . 6.6 tt -82.76 -34.85 11.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.771 0.32 . . . . 0.0 110.302 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.371 -174.357 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.369 0.128 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -62.76 -55.74 23.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.569 0.223 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 8.8 p-10 -85.18 -2.15 57.7 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.711 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.91 -40.87 78.88 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 169.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -66.8 -38.83 87.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.376 172.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 36.4 t -57.84 -44.16 86.34 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -64.66 -35.79 82.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.863 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.53 ' HZ3' ' HB2' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -68.72 -32.99 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.17 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.07 -5.25 59.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt 65.32 35.93 7.26 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.741 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.35 176.83 17.68 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.763 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -125.9 150.58 47.83 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 m -83.81 102.02 12.03 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -123.86 166.16 16.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.918 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.35 -48.66 32.41 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.706 0.288 . . . . 0.0 111.043 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.14 142.2 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.5 m -70.14 142.06 52.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.206 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.09 -158.99 34.06 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.826 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.587 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 2.6 pptp? -57.88 122.96 14.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 54.71 44.32 28.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.542 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 40.3 mt-10 -118.86 138.95 52.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -109.65 156.1 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD13 ' SG ' ' A' ' 17' ' ' CYS . 6.9 tp -82.35 116.25 21.76 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.524 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -104.62 -33.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.558 -170.058 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.52 172.78 14.94 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.935 0.398 . . . . 0.0 110.849 -174.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 49.5 tp -123.5 142.31 51.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.107 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -129.47 -177.35 4.22 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.489 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.53 170.86 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.039 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt 61.62 14.86 6.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.7 p 61.27 24.63 14.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.831 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 13' ' ' CYS . 2.0 mm? -79.04 152.5 30.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.505 ' HZ2' ' HB2' ' A' ' 32' ' ' LYS . 0.1 OUTLIER -126.66 145.18 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.093 0.473 . . . . 0.0 110.891 177.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 72.2 m -83.99 128.67 34.71 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.228 -175.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 57.9 m -121.41 135.34 55.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.129 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -117.88 134.52 54.86 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.468 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.8 m -83.18 120.69 26.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.337 -177.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.539 HD12 HD11 ' A' ' 44' ' ' ILE . 1.6 mm -63.97 106.38 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 122.03 0.919 . . . . 0.0 111.926 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -111.59 144.17 30.04 Favored Pre-proline 0 C--N 1.315 -0.915 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.122 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.49 117.02 4.54 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 121.963 1.776 . . . . 0.0 111.162 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t 179.29 161.1 0.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.7 126.42 7.54 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.933 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.0 m 64.61 -150.86 0.28 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.42 0.288 . . . . 0.0 110.942 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.9 mt 75.34 -78.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 123.289 0.635 . . . . 0.0 110.597 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.539 HD11 HD12 ' A' ' 37' ' ' ILE . 24.6 pt -91.72 24.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.036 0.446 . . . . 0.0 111.13 -175.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.459 -0.782 . . . . 0.0 110.246 178.219 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.64 0.257 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -59.57 -48.07 83.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 110.831 -176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.421 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 10.6 p-10 -91.72 8.98 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.306 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -80.26 -37.65 32.49 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 165.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -61.65 -40.78 96.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.208 168.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.442 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 49.3 t -61.07 -43.9 98.19 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.248 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.82 -55.03 40.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.961 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 10.2 tmtt? -60.28 -46.37 90.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.707 -179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD23 HH11 ' A' ' 35' ' ' ARG . 52.3 tp -73.04 -7.28 50.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.632 -177.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 66.32 36.03 5.53 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.066 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.42 146.69 21.04 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -100.64 131.44 46.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.654 0.264 . . . . 0.0 111.28 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.61 106.38 15.28 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HZ2' ' CD ' ' A' ' 21' ' ' GLU . 18.1 ptpt -132.73 175.43 9.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.94 -176.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -74.4 -61.41 1.88 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.431 HD21 ' C ' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -118.25 152.9 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.655 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.9 m -74.56 138.45 43.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -177.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.75 -159.13 34.86 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.052 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 129.24 40.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.98 0.419 . . . . 0.0 111.261 -177.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.15 49.68 19.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.364 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.0 mt-10 -127.13 156.66 41.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.95 0.405 . . . . 0.0 111.282 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.2 pt-20 -137.53 162.54 33.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.617 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.0 134.32 35.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.507 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -124.27 -32.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.907 -171.306 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -168.17 173.44 7.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 -174.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.61 142.24 47.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 54.2 m -120.14 172.18 7.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.465 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -72.95 171.54 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HB2' HD21 ' A' ' 31' ' ' LEU . 31.2 mtmm 67.47 15.12 9.8 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.395 0.435 . . . . 0.0 110.167 -177.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p 58.66 34.59 23.93 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.62 1.168 . . . . 0.0 112.196 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 29' ' ' LYS . 2.7 mm? -84.28 140.38 31.68 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.087 0.47 . . . . 0.0 111.132 172.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -103.26 127.39 50.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.884 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 90.8 m -75.27 108.5 8.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 49.3 m -112.51 125.82 54.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.031 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.426 HH11 HD23 ' A' ' 9' ' ' LEU . 16.7 ptt180 -102.62 136.46 42.4 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.486 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -85.91 118.49 25.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.074 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG21 HG21 ' A' ' 44' ' ' ILE . 34.0 mm -70.74 126.43 30.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.984 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 16.2 pt20 -91.17 147.91 36.67 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.571 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 12.0 Cg_exo -70.74 127.08 13.34 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.695 2.264 . . . . 0.0 112.01 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -165.5 -167.57 1.16 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.22 117.17 9.76 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.709 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p 39.14 80.8 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.351 0.596 . . . . 0.0 112.308 -170.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.6 pt 33.37 -97.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 113.563 -1.653 . . . . 0.0 113.899 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.49 ' H ' HD13 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -130.82 20.67 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 O-C-N 122.181 -0.324 . . . . 0.0 111.818 -177.19 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 117.83 -1.081 . . . . 0.0 110.412 178.693 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 97.6 m-85 -64.63 -22.28 66.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.085 0.469 . . . . 0.0 110.591 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.492 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 10.7 p-10 -90.16 -1.3 57.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.959 0.409 . . . . 0.0 111.663 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -78.38 -34.79 47.97 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 165.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 25.4 tptp -66.3 -33.42 75.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.123 -1.398 . . . . 0.0 109.435 169.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 19.1 t -56.65 -45.57 81.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.393 175.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.36 -41.26 88.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.179 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -60.97 -38.51 86.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.355 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 HD22 ' HZ1' ' A' ' 5' ' ' LYS . 4.0 mm? -86.72 -5.87 59.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 68.17 30.46 5.73 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.636 0.585 . . . . 0.0 110.352 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.96 172.33 38.43 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 130.73 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.818 0.342 . . . . 0.0 111.402 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.593 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -86.17 100.91 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 176.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 175.02 6.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.697 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -34.26 58.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.792 0.806 . . . . 0.0 109.172 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -119.0 148.19 43.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.459 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 23.3 m -83.94 142.23 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.67 -159.74 35.89 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.763 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -58.65 126.54 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 -177.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 57.49 27.83 14.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.808 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 83.7 mt-10 -100.53 139.34 36.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.257 0.551 . . . . 0.0 112.016 -176.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.81 164.61 13.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.453 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 32' ' ' LYS . 5.1 tp -85.88 116.89 24.4 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.541 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -108.21 -26.85 3.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -171.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.541 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -169.61 167.57 9.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.266 0.555 . . . . 0.0 111.305 -177.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.76 124.2 50.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.514 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.593 ' SG ' ' HB3' ' A' ' 13' ' ' CYS . 76.5 m -99.28 -179.85 4.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.553 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.21 168.12 12.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HE2' ' HB2' ' A' ' 29' ' ' LYS . 2.5 mppt? 59.54 14.53 3.96 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.882 -173.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 68.62 30.22 5.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.704 0.801 . . . . 0.0 111.086 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.3 mm? -75.25 159.93 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.449 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.545 ' HB3' HD12 ' A' ' 23' ' ' LEU . 30.4 mtmt -112.46 120.99 43.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 45.5 t -81.09 115.51 20.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 10.5 m -117.45 138.97 51.5 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.093 -177.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.523 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 11.0 ptt180 -117.15 133.81 55.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.593 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 m -81.24 96.54 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.898 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.17 123.0 25.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.032 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -95.9 146.93 32.18 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.72 177.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.57 141.92 93.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.747 2.298 . . . . 0.0 111.939 178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t 70.53 165.21 0.28 Allowed 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.692 0.62 . . . . 0.0 110.335 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 42' ' ' SER . . . -89.42 116.92 4.82 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.123 -1.037 . . . . 0.0 112.256 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 38.8 t 167.63 143.93 0.02 OUTLIER 'General case' 0 C--O 1.236 0.388 0 C-N-CA 123.864 0.866 . . . . 0.0 108.89 178.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.7 mt 70.69 -57.14 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 124.034 0.834 . . . . 0.0 111.299 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.8 tt -140.2 137.24 37.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.034 176.583 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.0 t80 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 111.124 0.046 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -51.65 -60.26 3.35 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.289 0.368 . . . . 0.0 111.9 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.557 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 6.3 p-10 -89.63 1.17 56.35 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.926 -0.71 . . . . 0.0 112.289 -175.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 11.1 tp10 -69.77 -45.01 69.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 168.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -67.97 -35.9 79.14 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.993 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.557 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 38.3 t -57.15 -48.79 77.81 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.139 0.495 . . . . 0.0 110.037 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -59.85 -50.41 73.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.801 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 34.9 mmtp -62.41 -44.09 97.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.063 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.83 1.03 32.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.928 -173.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 71.41 43.96 0.57 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.435 171.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.96 170.03 16.93 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -129.64 135.34 48.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.972 0.386 . . . . 0.0 110.853 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 m -81.34 111.83 18.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.972 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -134.17 175.06 9.83 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.34 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -81.95 -54.49 5.28 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.833 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -114.9 142.2 46.9 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' HD13 ' A' ' 23' ' ' LEU . 57.8 m -75.37 132.97 41.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.058 0.456 . . . . 0.0 110.74 -177.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -156.6 32.56 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 17.0 ptmt -41.48 109.56 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.449 0.7 . . . . 0.0 112.678 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.503 ' O ' HG12 ' A' ' 37' ' ' ILE . 2.4 t-20 43.99 57.63 4.07 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.169 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.2 mt-10 -109.66 143.21 39.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.069 176.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' HG3' ' CG2' ' A' ' 24' ' ' ILE . 24.8 pt-20 -109.06 146.84 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.12 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.696 HD12 ' CG ' ' A' ' 32' ' ' LYS . 7.9 tp -93.13 116.25 28.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.583 HG22 ' CD ' ' A' ' 35' ' ' ARG . 1.1 pp -114.85 -22.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.714 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -159.19 160.97 36.07 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.741 0.305 . . . . 0.0 110.316 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.4 mt -116.31 120.16 38.02 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.712 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.1 m -101.53 178.95 4.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.127 -171.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -83.89 171.54 12.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.102 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm 66.47 15.7 10.19 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.561 0.538 . . . . 0.0 110.586 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.7 m 77.92 -1.57 2.58 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.035 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.57 156.36 39.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.696 ' CG ' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.37 157.0 44.48 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.571 172.002 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 34.6 t -81.28 111.87 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -169.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 58.7 m -107.0 128.33 54.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.184 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.583 ' CD ' HG22 ' A' ' 24' ' ' ILE . 55.1 mtp180 -108.14 123.95 49.51 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.597 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -78.65 112.62 15.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.26 0.552 . . . . 0.0 110.185 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 20' ' ' ASN . 31.9 mm -65.54 132.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.592 -176.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -76.55 150.26 81.96 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.836 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.94 128.83 19.96 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.854 2.369 . . . . 0.0 111.905 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 m 72.25 123.33 0.04 OUTLIER 'General case' 0 C--O 1.236 0.345 0 O-C-N 124.054 0.847 . . . . 0.0 111.167 -175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.08 119.89 19.0 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.082 -0.963 . . . . 0.0 113.604 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 m -144.1 134.39 24.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.9 mt 73.42 -50.48 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 123.707 0.629 . . . . 0.0 111.802 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.493 HG22 HD11 ' A' ' 37' ' ' ILE . 5.1 pt -63.8 165.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.557 -176.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.859 178.096 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -54.31 -59.29 4.86 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.441 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 7.5 p-10 -89.91 -2.02 58.1 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.477 -178.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.82 -42.22 77.54 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 166.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' O ' HD21 ' A' ' 9' ' ' LEU . 25.3 tptp -63.83 -38.31 90.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.393 171.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.564 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 47.1 t -59.68 -41.67 91.19 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.654 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -61.0 -42.59 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.289 0.566 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.73 -43.78 97.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 HD21 ' O ' ' A' ' 5' ' ' LYS . 4.2 mm? -79.52 -3.93 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.269 179.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 65.01 37.92 6.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.019 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.8 152.28 22.94 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.639 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -108.56 149.81 28.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.664 0.268 . . . . 0.0 110.657 -176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.19 104.87 11.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.33 0.586 . . . . 0.0 110.159 174.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 19.2 ptpt -136.86 160.19 39.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.216 177.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -84.24 -44.79 13.54 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.635 0.731 . . . . 0.0 109.965 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 25.3 m-80 -110.09 126.78 54.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.177 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 8.4 m -70.5 137.04 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.11 -158.03 33.32 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.443 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.63 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -46.61 116.09 1.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.01 52.65 12.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.498 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 43.8 mt-10 -125.8 162.74 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.261 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -135.89 157.88 45.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.887 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -80.29 113.11 18.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.452 HG21 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -100.37 -37.48 5.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.764 -174.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.87 165.12 37.67 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.279 -175.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.9 mt -105.41 139.65 39.72 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.0 m -113.89 169.68 8.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.594 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.578 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 26.9 mm-40 -71.63 173.01 8.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.88 176.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER 50.8 27.18 2.94 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.203 1.002 . . . . 0.0 112.059 -177.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t 71.52 20.8 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.258 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.04 178.5 7.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.174 0.511 . . . . 0.0 110.858 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 152.9 38.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.885 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.564 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 96.1 m -88.65 118.92 28.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 66.8 m -117.32 129.87 56.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -112.59 137.06 51.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 63.6 m -79.3 123.53 27.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.217 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 44' ' ' ILE . 42.2 mm -67.73 99.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.613 -176.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -100.13 133.63 21.4 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.684 177.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.68 117.38 3.92 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.542 2.161 . . . . 0.0 112.088 -179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.2 m -160.6 166.91 28.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.952 -176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.44 133.0 11.46 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.717 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 t 69.77 177.89 0.26 Allowed 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.227 0.611 . . . . 0.0 110.531 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.8 mm 71.76 -58.05 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 123.079 0.552 . . . . 0.0 111.037 -176.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 37' ' ' ILE . 19.0 tt -154.42 151.99 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.214 -176.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.2 t80 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 111.308 0.114 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -58.08 -54.81 42.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.745 0.307 . . . . 0.0 111.505 -174.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.467 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 5.0 p-10 -92.69 0.55 57.44 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.914 -0.715 . . . . 0.0 111.56 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -71.78 -38.43 70.32 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 168.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -64.45 -44.41 91.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.165 -1.38 . . . . 0.0 109.53 170.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 20.2 t -56.59 -47.08 80.35 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.719 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -59.71 -42.0 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.336 0.588 . . . . 0.0 110.705 178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -58.32 -43.17 88.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.952 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.98 -4.16 58.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.041 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 65.2 34.62 8.36 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.991 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.18 173.77 26.77 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.554 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -123.33 148.98 45.45 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.45 ' O ' HD13 ' A' ' 31' ' ' LEU . 4.2 m -87.62 100.94 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.28 175.59 6.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 -178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.407 ' HB3' ' ND2' ' A' ' 16' ' ' ASN . 17.5 t-20 -74.31 -46.58 40.11 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 122.052 0.929 . . . . 0.0 109.031 173.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 15' ' ' ASN . 19.7 m-80 -117.84 149.04 41.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.984 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.3 m -81.91 144.21 31.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.46 -159.46 34.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.899 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -66.33 129.91 41.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.639 0.257 . . . . 0.0 110.89 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 54.13 57.81 5.58 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.078 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 80.3 mt-10 -134.22 148.96 50.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.419 -178.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.27 161.56 21.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.89 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 32' ' ' LYS . 6.5 tp -85.85 109.37 18.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.521 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -98.11 -26.7 3.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.176 -170.257 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -166.14 162.81 17.89 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.115 0.483 . . . . 0.0 110.951 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.4 tm? -117.0 132.44 56.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.121 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.413 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 21.7 m -113.02 -176.21 2.84 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.491 -172.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.31 170.16 16.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.1 mtmm 65.65 11.64 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.418 0.448 . . . . 0.0 110.424 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 m 72.04 18.53 4.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.951 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -80.31 152.38 29.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 52.2 mttt -125.36 140.18 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 99.8 m -84.35 118.64 24.35 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 120.843 0.354 . . . . 0.0 110.487 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 21.7 m -117.19 127.13 53.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HB3' HG22 ' A' ' 24' ' ' ILE . 27.1 ptt180 -110.67 139.85 45.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -81.12 117.21 21.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.974 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.447 HG21 HG21 ' A' ' 44' ' ' ILE . 45.1 mm -60.98 137.19 23.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.971 -175.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.73 129.49 44.4 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 170.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.92 117.2 3.92 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.116 1.877 . . . . 0.0 111.962 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 t 177.69 165.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.28 140.04 15.97 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.962 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.5 m 61.04 -149.1 0.42 Allowed 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.2 mt 75.05 -55.15 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 123.148 0.579 . . . . 0.0 111.426 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 HG21 HG21 ' A' ' 37' ' ' ILE . 41.9 pt -89.14 168.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.168 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.333 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 111.306 0.113 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -53.18 -60.62 3.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.025 0.44 . . . . 0.0 111.111 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.436 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 6.2 p-10 -88.05 1.37 54.4 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.508 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.36 -40.49 74.02 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 168.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.32 -35.08 77.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.747 171.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.576 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 48.7 t -59.21 -47.14 86.44 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.131 0.491 . . . . 0.0 110.059 175.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -62.62 -43.52 98.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -56.68 -36.46 69.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.032 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 96.6 mt -91.74 3.39 55.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.546 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? 67.46 36.21 3.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.433 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.79 149.46 16.6 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.889 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -105.67 133.83 49.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.119 0.485 . . . . 0.0 111.397 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 m -79.43 123.61 27.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.197 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -145.36 170.57 16.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -80.76 -45.58 16.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.821 0.343 . . . . 0.0 110.605 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.69 136.28 54.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 m -70.6 141.01 51.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.025 0.441 . . . . 0.0 110.839 -173.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.48 -159.36 34.84 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.391 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.71 123.49 14.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.959 0.409 . . . . 0.0 111.578 -177.661 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m120 53.14 46.6 26.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.962 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 20.1 mt-10 -110.27 159.55 17.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.179 0.514 . . . . 0.0 111.88 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.1 pt-20 -126.27 161.91 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.703 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -95.38 119.0 33.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.593 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -112.93 -22.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -171.298 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -173.24 168.13 4.73 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 121.521 0.677 . . . . 0.0 111.647 -176.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.5 mt -103.22 125.49 49.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.684 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 46.5 t -96.91 160.96 14.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.05 164.87 14.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HB2' HD21 ' A' ' 31' ' ' LEU . 30.3 mtmm 69.0 9.36 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.409 0.443 . . . . 0.0 110.177 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m 73.07 16.85 4.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.725 0.81 . . . . 0.0 112.704 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.44 HD21 ' HB2' ' A' ' 29' ' ' LYS . 2.4 mm? -75.93 162.76 27.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 110.555 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.2 mppt? -115.96 132.39 56.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.576 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 86.3 m -77.26 113.06 14.62 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 32.2 m -118.41 131.95 56.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.593 ' CD ' HG21 ' A' ' 24' ' ' ILE . 73.4 mtp180 -113.23 131.94 55.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.555 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 23.6 m -77.8 111.73 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.419 177.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.427 HD12 HG22 ' A' ' 44' ' ' ILE . 44.9 mm -69.35 123.34 22.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.647 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -104.03 129.19 25.66 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.201 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.28 128.84 24.97 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.436 2.09 . . . . 0.0 110.838 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.7 t 74.14 4.59 4.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.412 0.625 . . . . 0.0 110.253 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.07 176.92 39.79 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.494 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -75.62 150.02 38.1 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.792 -0.24 . . . . 0.0 111.424 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mm 74.9 -64.54 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.431 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.427 HG22 HD12 ' A' ' 37' ' ' ILE . 12.6 tt -104.67 97.49 5.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.606 0.717 . . . . 0.0 109.736 178.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.19 -173.726 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 37.4 t . . . . . 0 CA--C 1.527 0.059 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.41 -40.43 86.63 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.2 -37.46 87.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.519 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.41 4.93 16.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 70.97 30.47 2.77 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.711 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.492 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -87.59 127.53 8.54 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.311 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -94.42 133.57 37.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.665 0.269 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 4.8 m -81.14 107.57 14.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 110.234 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -127.17 170.49 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.759 178.454 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -75.33 -58.75 3.09 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.068 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 8.2 p30 -113.65 137.98 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.031 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -71.41 137.37 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.0 -157.03 30.88 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.892 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HE3' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -42.71 112.99 0.41 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.092 0.957 . . . . 0.0 112.72 -179.237 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.4 m120 58.28 17.25 4.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.215 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 44.7 mt-10 -95.07 138.8 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.8 pt-20 -122.61 155.77 35.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD11 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tt -82.04 117.03 21.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.561 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -114.03 -21.51 5.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -174.091 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.1 20.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.087 0.47 . . . . 0.0 111.033 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -99.11 118.09 35.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.617 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -97.26 179.7 4.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.341 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -84.57 171.86 12.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' HB2' HD23 ' A' ' 31' ' ' LEU . 40.6 mtmt 64.3 15.11 9.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.7 m 74.28 13.63 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.501 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -79.82 152.74 29.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.691 0.281 . . . . 0.0 110.249 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HG2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -129.89 135.47 48.4 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.539 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -74.81 108.62 7.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.575 -179.361 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 39.3 m -109.78 128.04 55.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.029 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.561 ' CD ' HG21 ' A' ' 24' ' ' ILE . 78.0 mtp180 -96.54 131.85 42.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.319 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 9.5 m -79.58 89.39 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.682 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.3 mm . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.725 -173.789 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.496 ' HG ' ' CB ' ' A' ' 33' ' ' CYS . 32.0 t . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.781 0.324 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.87 -44.66 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.479 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.94 -43.2 91.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.232 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.49 -1.62 56.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.442 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 60.15 39.59 19.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.95 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.57 174.74 29.71 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.249 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -128.74 134.29 48.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.613 0.245 . . . . 0.0 110.737 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.45 108.54 13.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.859 0.361 . . . . 0.0 110.178 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -133.54 174.23 10.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.488 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -89.54 -53.27 4.61 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.893 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -111.04 130.16 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.416 . . . . 0.0 110.309 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.645 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 55.5 m -71.61 135.53 46.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.025 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.49 -158.17 33.34 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -53.47 111.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 112.849 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.06 52.82 11.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.03 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.6 mt-10 -119.76 143.25 47.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.509 177.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.612 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 10.1 pt-20 -118.96 155.27 31.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.309 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.624 ' HG ' ' HD2' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -91.49 107.89 19.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.624 HG21 ' HG3' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -108.76 -20.84 5.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.701 -166.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -158.55 164.3 36.23 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' HE3' ' A' ' 32' ' ' LYS . 2.5 tm? -115.08 133.37 56.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.58 0.705 . . . . 0.0 110.088 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.1 m -119.17 -179.71 3.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.764 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -75.04 169.44 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.7 mtmm 65.48 12.79 8.43 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -177.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m 74.45 12.34 3.92 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.9 mm? -74.12 154.33 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.536 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD2' ' HG ' ' A' ' 23' ' ' LEU . 9.5 mttp -131.03 153.05 49.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.548 ' HB2' HG13 ' A' ' 24' ' ' ILE . 69.5 m -80.84 118.64 22.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.645 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 99.1 m -102.76 129.46 49.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.044 174.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HG3' HG21 ' A' ' 24' ' ' ILE . 18.1 mtm180 -100.76 124.08 45.89 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.619 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.2 m -79.0 92.62 4.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.973 0.796 . . . . 0.0 109.951 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 N--CA 1.444 -0.73 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.741 -174.816 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 24' ' ' ILE . 8.2 t . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -61.04 -32.47 72.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.424 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.66 -37.84 79.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.188 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.45 12.6 3.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.478 0.656 . . . . 0.0 110.233 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.8 mmtp 72.56 29.21 2.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.549 169.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.62 84.82 0.5 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 p -71.28 145.53 49.48 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.205 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 3.2 m -81.09 99.24 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.177 0.513 . . . . 0.0 110.528 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' HA ' HD12 ' A' ' 31' ' ' LEU . 19.1 ptpt -133.91 163.01 30.48 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.82 174.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -81.47 -46.5 14.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.147 0.498 . . . . 0.0 110.781 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -116.83 142.21 47.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.367 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.6 m -77.78 132.62 38.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.565 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.93 -156.22 31.93 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.97 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.72 127.61 23.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.044 0.449 . . . . 0.0 111.412 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' HG12 ' A' ' 37' ' ' ILE . 3.6 m-20 56.51 28.61 14.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.019 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 47.6 mt-10 -113.56 142.51 45.87 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.899 -0.72 . . . . 0.0 112.098 -176.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.3 pt-20 -124.45 155.5 38.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.543 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.61 HD11 ' CB ' ' A' ' 32' ' ' LYS . 6.1 tp -88.37 114.83 25.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.594 HD11 ' SG ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -114.63 -20.33 6.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.749 -171.307 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -165.8 165.13 18.62 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 111.078 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.12 139.28 37.95 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.911 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.5 m -112.83 176.85 4.84 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -84.98 173.12 10.79 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt 66.19 13.69 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.511 0.507 . . . . 0.0 110.731 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 m 77.61 9.18 2.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.964 0.906 . . . . 0.0 112.239 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' LYS . 3.5 mm? -84.26 166.73 17.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 122.391 -0.193 . . . . 0.0 110.588 175.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.684 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.1 mptt -134.16 163.25 30.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 60.8 m -88.75 104.23 16.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.279 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 73.4 m -105.65 117.87 35.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.932 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 69.8 mtp180 -92.65 128.42 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.135 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.9 m -81.56 104.01 11.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 109.689 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 20' ' ' ASN . 43.7 mm . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.133 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 34.1 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.989 0.423 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -60.88 -45.95 92.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.647 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -53.53 -44.96 69.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.669 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.78 -9.85 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.45 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 57.87 46.99 15.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.942 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 176.53 31.15 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.982 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -127.24 130.4 49.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.971 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -75.13 107.66 7.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.768 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -132.55 174.5 10.21 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.356 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -80.85 -51.63 8.39 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.122 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -118.53 137.73 53.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.586 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 35.5 m -69.07 141.18 54.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 -171.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.29 -159.75 28.31 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.27 118.99 7.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.305 0.574 . . . . 0.0 111.111 -177.174 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 57.91 53.22 7.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.257 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 86.9 mt-10 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -127.84 162.03 27.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.835 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.899 HD11 ' HB3' ' A' ' 32' ' ' LYS . 1.3 tp -83.41 111.87 19.42 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -98.61 -35.29 4.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.451 -175.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.54 158.53 34.15 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.074 0.464 . . . . 0.0 111.514 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.59 115.34 29.93 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.461 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 99.3 m -97.03 175.74 6.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.336 -172.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.66 171.08 13.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.073 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' HD23 ' A' ' 31' ' ' LEU . 44.7 mtmt 61.0 18.85 9.33 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.2 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 p 59.89 21.41 10.38 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.134 1.373 . . . . 0.0 112.618 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.5 mm? -75.12 159.17 31.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.09 0.472 . . . . 0.0 110.74 173.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.899 ' HB3' HD11 ' A' ' 23' ' ' LEU . 12.8 mptt -115.45 134.98 54.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.132 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.598 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 42.3 t -81.09 114.53 20.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.586 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 35.7 m -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.099 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -106.37 132.6 52.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.325 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.533 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -77.61 123.17 26.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.8 mm . . . . . 0 C--N 1.321 -0.663 0 CA-C-O 121.48 0.657 . . . . 0.0 111.597 -173.911 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.442 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 36.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.268 0.556 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -58.89 -44.4 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.648 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -60.23 -38.33 83.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.126 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.43 -0.59 57.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 61.06 38.88 16.85 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.866 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.76 165.28 25.67 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -117.04 147.96 41.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.009 0.404 . . . . 0.0 110.472 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 8.7 m -87.92 105.97 17.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -129.68 175.49 8.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.388 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -74.64 -69.51 0.46 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.748 0.785 . . . . 0.0 110.56 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -112.61 144.73 41.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.613 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 31.1 m -71.41 135.23 47.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.421 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.79 -158.62 34.19 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.59 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.95 129.83 41.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.909 0.385 . . . . 0.0 111.294 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 36' ' ' THR . 17.0 m120 53.01 55.17 9.3 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.557 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 41.8 mt-10 -136.28 152.62 50.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.03 0.443 . . . . 0.0 111.261 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -131.03 164.9 24.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.949 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.61 HD11 ' CB ' ' A' ' 32' ' ' LYS . 3.9 tp -89.44 109.63 20.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.238 0.542 . . . . 0.0 109.635 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -98.09 -33.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.288 -170.726 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.16 165.12 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.16 0.505 . . . . 0.0 111.265 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.94 124.5 52.52 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.175 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.8 m -111.24 165.89 11.55 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.052 0.453 . . . . 0.0 111.26 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 78.3 mt-30 -71.87 172.17 10.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.859 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.04 9.74 7.15 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.396 -172.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.7 m 76.01 0.72 3.36 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.2 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.65 149.89 48.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.61 ' CB ' HD11 ' A' ' 23' ' ' LEU . 2.1 mptp? -120.39 152.67 37.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 94.7 m -86.83 120.59 28.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.423 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 82.1 m -114.35 132.8 56.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.9 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -114.69 134.74 54.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.987 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.443 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 15.6 m -80.74 120.12 24.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.627 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.37 -177.209 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -62.58 -49.89 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.869 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -53.48 -45.63 69.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -82.11 -11.5 58.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 43.2 mmtm 62.68 42.39 8.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.904 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.4 177.24 29.57 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -131.09 154.31 48.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.356 0.598 . . . . 0.0 111.162 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.562 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.8 m -89.35 110.38 21.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.174 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -127.6 166.94 17.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.901 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -76.58 -50.9 12.7 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -119.63 135.65 54.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.767 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 33.9 m -69.83 134.89 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.993 0.425 . . . . 0.0 110.488 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.22 -158.8 33.04 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.316 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.71 133.12 55.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 111.141 -178.362 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 51.53 52.26 15.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.332 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.7 mt-10 -132.55 161.62 33.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.179 0.514 . . . . 0.0 111.288 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -143.39 159.16 42.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.223 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.17 119.17 22.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -108.49 -34.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -175.359 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.07 166.18 34.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.718 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.4 mt -109.4 154.58 22.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.1 m -146.49 175.63 10.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.62 171.87 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.746 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HB2' HD23 ' A' ' 31' ' ' LEU . 48.0 mtmt 65.04 10.67 6.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.258 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t 71.22 22.13 4.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.603 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.5 mm? -82.51 145.73 29.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 174.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -124.57 140.18 53.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 83.9 m -73.17 113.24 10.01 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.503 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 60.1 m -112.79 130.52 56.05 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.829 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 28.1 ptt180 -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.729 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m -87.48 117.81 26.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.648 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.5 mm . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.226 -173.641 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 42.7 t . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 121.196 0.522 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -56.72 13.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.317 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.2 -35.21 77.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.046 -175.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.6 tp -84.07 -7.82 59.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.533 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 67.79 33.56 4.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.986 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.74 157.25 50.35 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.429 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -126.2 142.86 51.36 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 122.685 -0.303 . . . . 0.0 110.23 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -84.05 103.08 12.99 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -132.91 165.65 24.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.564 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -83.53 -43.5 15.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 110.711 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -118.94 134.77 54.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.99 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 24.8 m -71.29 141.2 50.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.326 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.56 -158.13 34.14 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.079 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.596 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.01 125.23 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 111.62 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.2 41.62 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.63 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 71.6 mt-10 -122.44 164.18 18.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.479 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 pt-20 -150.08 161.25 42.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.46 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.18 121.93 23.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.133 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -111.56 -34.52 2.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.91 0.386 . . . . 0.0 110.789 -176.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.32 162.81 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.344 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.6 mt -102.17 137.44 40.44 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 172.96 6.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.653 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -68.81 171.43 7.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HB2' HD23 ' A' ' 31' ' ' LEU . 50.8 mtmt 61.3 15.28 6.34 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.651 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p 58.68 29.36 18.48 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.878 1.271 . . . . 0.0 112.065 -174.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.8 mm? -80.55 167.1 20.5 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.05 139.6 51.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 50.7 t -79.2 115.14 18.67 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 85.0 m -110.21 136.42 49.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.278 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 31.2 ptt180 -110.12 138.6 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.572 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -82.71 113.62 20.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.836 175.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.1 mm . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.498 -174.731 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.236 0.35 0 CA-C-O 121.202 0.525 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -58.17 -51.1 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.005 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -70.53 -23.36 62.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.915 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -88.17 -6.09 58.05 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.036 0.446 . . . . 0.0 110.792 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.65 41.38 1.66 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.063 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.8 169.41 12.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -129.51 130.32 45.66 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 117.184 0.492 . . . . 0.0 111.457 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 12.2 m -84.16 98.87 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.708 ' HE3' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -119.76 176.92 5.16 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.777 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -79.95 -54.88 5.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.63 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 7.5 p30 -122.42 139.08 54.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.203 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 m -71.45 131.28 43.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.941 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -158.5 34.61 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.425 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.72 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -49.08 120.84 4.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.297 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 51.4 46.98 25.68 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.774 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 50.9 mt-10 -120.16 137.19 54.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.008 0.433 . . . . 0.0 111.726 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 8.9 pt-20 -122.79 151.31 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.526 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.38 127.43 32.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.478 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -120.93 -25.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -175.119 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -158.56 160.69 36.9 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 120.857 0.361 . . . . 0.0 110.598 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -109.83 140.07 44.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.031 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.71 -176.3 3.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -90.83 172.66 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.55 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HE2' HD12 ' A' ' 31' ' ' LEU . 33.7 mtmm 64.93 36.96 7.29 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.548 0.53 . . . . 0.0 111.016 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 p 52.87 29.54 7.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.263 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 79.2 mt -107.15 150.14 26.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.755 177.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HD2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -147.48 151.41 36.35 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.251 173.124 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -78.53 122.92 26.5 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.067 -171.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 94.8 m -125.91 136.77 53.43 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.447 170.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.478 ' CD ' HG21 ' A' ' 24' ' ' ILE . 70.2 mtp180 -105.89 136.47 45.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.325 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.3 m -76.93 103.45 6.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.799 0.687 . . . . 0.0 109.881 176.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.097 -175.233 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 53.2 t . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.99 -42.58 99.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.563 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -58.57 -41.71 86.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.856 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.29 -12.12 59.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.94 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttm 66.48 36.27 5.15 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.926 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.11 174.81 25.56 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.007 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -122.07 154.58 37.14 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.338 0.59 . . . . 0.0 110.861 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 16.1 m -94.51 101.19 13.08 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.803 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -131.05 170.48 14.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.474 177.572 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -88.13 -53.06 4.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.173 0.511 . . . . 0.0 110.389 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 18.8 m-80 -102.28 127.92 49.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.684 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.1 m -70.71 124.0 23.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.916 0.389 . . . . 0.0 110.112 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.76 -158.41 24.62 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.027 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.646 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -54.36 126.25 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.733 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 54.04 51.13 15.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.867 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 42.7 mt-10 -131.28 143.34 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.701 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' HG22 ' A' ' 24' ' ' ILE . 14.6 pt-20 -123.7 158.42 31.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -85.42 118.22 24.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.65 HG21 ' CG ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -116.77 -13.61 10.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -171.705 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -171.34 161.54 6.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.226 0.536 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -106.26 132.55 52.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.608 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 76.1 m -113.28 168.74 9.48 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -68.8 170.83 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.296 176.703 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HB2' HD23 ' A' ' 31' ' ' LEU . 41.8 mtmt 68.23 9.86 7.48 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.28 0.363 . . . . 0.0 110.445 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 70.01 19.08 7.0 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.953 -174.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.7 mm? -82.07 -175.06 5.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.887 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.72 ' HB3' HD11 ' A' ' 23' ' ' LEU . 29.1 mttt -150.22 152.84 35.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.82 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 22.6 t -92.39 115.17 27.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -111.93 128.88 56.28 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.084 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.65 ' CG ' HG21 ' A' ' 24' ' ' ILE . 26.3 mtm180 -101.71 127.41 48.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.448 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 6.3 m -77.04 110.84 12.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.426 HD11 ' HG2' ' A' ' 22' ' ' GLU . 34.8 mm . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.568 -175.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.457 ' CB ' ' HG ' ' A' ' 33' ' ' CYS . 32.5 t . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.169 0.509 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.37 -39.36 89.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.486 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -57.72 -39.64 77.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.345 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.42 ' HG ' ' HD2' ' A' ' 35' ' ' ARG . 3.7 mm? -90.6 -5.34 56.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.147 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 63.06 28.38 16.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.107 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 -169.01 32.56 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 t -150.07 154.89 38.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 15.7 m -78.11 103.14 7.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.266 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -129.95 170.61 13.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.046 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -85.88 -53.47 5.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.133 0.492 . . . . 0.0 110.535 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -105.59 132.9 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.281 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.9 m -70.88 133.91 46.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.376 . . . . 0.0 110.129 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.35 -158.42 34.23 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.63 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.761 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -52.61 125.08 15.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.127 0.489 . . . . 0.0 111.943 179.059 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 60.32 19.16 8.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.877 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 43.2 mt-10 -107.87 138.61 43.81 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.963 0.411 . . . . 0.0 111.347 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -129.41 160.67 32.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.506 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.632 HD11 ' CB ' ' A' ' 32' ' ' LYS . 6.0 tp -76.34 122.22 24.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.167 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.623 HG21 ' HD3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -112.98 -28.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.459 -174.158 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.573 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.52 158.03 33.21 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.366 0.603 . . . . 0.0 111.556 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.05 112.17 24.37 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.843 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.5 m -97.01 166.75 11.45 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.779 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 14.2 mm100 -79.55 171.3 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.906 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.78 11.34 8.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.651 0.594 . . . . 0.0 110.119 -173.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.0 m 76.16 7.21 3.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.256 1.023 . . . . 0.0 112.31 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.11 168.13 20.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.469 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HD11 ' A' ' 23' ' ' LEU . 11.7 mptt -132.47 158.21 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' HG ' ' CB ' ' A' ' 6' ' ' CYS . 46.9 t -92.41 115.91 28.51 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 61.1 m -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.623 ' HD3' HG21 ' A' ' 24' ' ' ILE . 18.1 ptt-85 -116.49 142.37 46.95 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.284 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -82.6 112.97 19.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.484 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.16 177.453 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 5.9 t . . . . . 0 C--O 1.236 0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -58.13 -41.29 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.392 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -67.27 -27.25 67.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.582 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.8 mm? -97.8 -4.74 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.556 0.217 . . . . 0.0 111.054 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.83 27.26 12.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.051 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.82 179.35 32.77 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.653 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -125.58 148.88 48.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.2 m -86.03 100.37 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -124.15 172.87 8.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.048 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 41.4 m-80 -88.31 -52.83 5.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.876 0.37 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.17 129.23 56.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 7.1 m -74.4 147.77 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.424 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.88 -157.49 18.4 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.425 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.8 130.3 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.099 0.476 . . . . 0.0 112.143 -178.795 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 58.66 28.6 17.41 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.554 172.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -110.23 152.61 25.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.221 0.534 . . . . 0.0 111.539 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 37' ' ' ILE . 13.9 pt-20 -127.95 156.26 42.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.52 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.706 HD11 ' CG ' ' A' ' 32' ' ' LYS . 9.4 tp -92.11 118.04 30.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.64 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -114.81 -20.86 5.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.827 -168.373 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.63 155.92 20.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.636 0.255 . . . . 0.0 110.363 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.43 119.98 41.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.984 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 88.9 m -97.53 -175.83 3.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.781 -175.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -90.22 173.27 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.186 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 67.29 15.55 9.98 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.047 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t 80.97 -4.2 1.74 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.441 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' CYS . 3.7 mm? -74.96 153.26 38.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 174.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.706 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.69 160.31 41.41 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 120.965 0.412 . . . . 0.0 110.966 171.01 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 23.2 t -82.52 119.38 24.15 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.422 -168.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 32.7 m -117.02 130.56 56.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.391 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.64 ' CD ' HG21 ' A' ' 24' ' ' ILE . 1.8 ptm180 -117.15 136.17 53.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.313 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 m -79.96 109.99 14.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.328 0.585 . . . . 0.0 109.802 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.48 HD11 ' HG2' ' A' ' 22' ' ' GLU . 35.4 mm . . . . . 0 C--N 1.315 -0.914 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.562 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.7 t . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -59.24 -50.89 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.815 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -58.19 -44.29 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.182 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.85 -0.59 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 66.19 40.62 3.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.627 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.04 169.34 13.06 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -116.69 147.78 41.66 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 4.4 m -88.58 106.5 18.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -118.9 174.86 6.05 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.278 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.13 -23.41 28.45 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.467 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -145.73 148.42 32.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.602 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 23' ' ' LEU . 46.4 m -86.74 131.19 34.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.64 -158.18 31.42 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.363 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 120.64 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.398 0.618 . . . . 0.0 111.868 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 56.95 32.08 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.892 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 49.1 mt-10 -108.39 156.23 19.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.628 0.251 . . . . 0.0 110.462 176.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -137.7 159.15 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.473 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 32' ' ' LYS . 5.0 tp -84.45 118.22 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.533 HG13 ' HB3' ' A' ' 33' ' ' CYS . 1.2 pp -113.52 -20.38 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.59 -172.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.86 158.97 13.14 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD12 ' HG3' ' A' ' 32' ' ' LYS . 47.8 tp -106.01 136.89 44.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.455 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.6 m -115.61 175.03 5.71 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.466 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -74.4 172.22 12.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HB2' HD23 ' A' ' 31' ' ' LEU . 36.7 mtmm 64.12 10.65 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.736 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 t 76.48 7.43 3.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.752 0.821 . . . . 0.0 111.594 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -73.4 162.87 28.82 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.514 0.197 . . . . 0.0 110.629 175.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HB2' HD11 ' A' ' 23' ' ' LEU . 7.5 mptt -137.1 155.18 49.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.763 0.316 . . . . 0.0 110.506 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.562 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 49.5 t -83.59 116.56 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.558 -177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.66 121.41 44.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.581 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' CD ' HG21 ' A' ' 24' ' ' ILE . 65.5 mtp180 -106.9 130.65 54.54 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.572 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -82.17 112.74 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.377 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 mm . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.268 -176.816 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.102 0.477 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.824 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -64.17 -33.03 74.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -89.77 -1.74 58.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.576 0.227 . . . . 0.0 111.243 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 66.41 32.13 7.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.205 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.26 -169.71 23.95 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.651 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 m -147.87 150.36 33.98 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.3 m -89.58 109.69 20.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -130.19 175.51 8.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.8 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.65 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 22.2 t-20 -70.36 -64.92 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.528 0.68 . . . . 0.0 110.488 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -123.48 144.45 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.331 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -71.32 144.15 50.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -177.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.43 -159.04 33.68 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.24 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.16 131.4 49.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.893 0.377 . . . . 0.0 111.984 -177.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 40.45 60.53 1.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.802 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 23.1 mt-10 -120.18 154.29 35.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.839 173.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -122.86 155.1 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -91.7 137.25 32.52 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.603 0.716 . . . . 0.0 109.692 176.489 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -130.93 -30.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.181 -170.022 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -161.74 155.38 21.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 32' ' ' LYS . 81.9 mt -107.78 133.35 52.3 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.114 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.6 m -113.79 178.12 4.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 -174.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -90.86 174.88 7.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.87 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 70.1 25.05 4.81 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.712 0.633 . . . . 0.0 111.182 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.3 t 68.5 21.33 8.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.52 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 94.6 mt -106.89 155.06 20.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.24 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.666 ' CG ' HD21 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -144.68 154.9 43.25 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.368 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.5 t -75.59 108.92 8.74 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.868 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' HE3' ' A' ' 32' ' ' LYS . 19.0 m -111.23 127.4 55.6 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.637 175.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.741 ' CD ' HG21 ' A' ' 24' ' ' ILE . 2.6 ptm180 -122.93 127.05 48.39 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.299 0.571 . . . . 0.0 110.537 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.598 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -72.25 134.5 45.63 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.243 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.987 175.223 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.4 t . . . . . 0 C--O 1.236 0.356 0 CA-C-O 120.994 0.426 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -64.66 -35.79 82.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.863 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -32.99 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.07 -5.25 59.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt 65.32 35.93 7.26 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.741 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.35 176.83 17.68 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.763 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -125.9 150.58 47.83 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.426 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 m -83.81 102.02 12.03 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -123.86 166.16 16.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.918 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.35 -48.66 32.41 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.706 0.288 . . . . 0.0 111.043 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.14 142.2 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.5 m -70.14 142.06 52.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.206 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.09 -158.99 34.06 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.826 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.594 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 2.6 pptp? -57.88 122.96 14.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 54.71 44.32 28.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.542 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 40.3 mt-10 -118.86 138.95 52.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -109.65 156.1 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.9 tp -82.35 116.25 21.76 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.546 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -104.62 -33.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.558 -170.058 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.546 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.52 172.78 14.94 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.935 0.398 . . . . 0.0 110.849 -174.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 49.5 tp -123.5 142.31 51.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.107 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -129.47 -177.35 4.22 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.489 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.53 170.86 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.039 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' HD23 ' A' ' 31' ' ' LEU . 48.6 mtmt 61.62 14.86 6.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.7 p 61.27 24.63 14.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.831 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 13' ' ' CYS . 2.0 mm? -79.04 152.5 30.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.643 ' HB3' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -126.66 145.18 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.093 0.473 . . . . 0.0 110.891 177.639 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 72.2 m -83.99 128.67 34.71 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.228 -175.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 57.9 m -121.41 135.34 55.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.129 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HD3' HG21 ' A' ' 24' ' ' ILE . 27.9 ptt180 -117.88 134.52 54.86 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.509 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.8 m -83.18 120.69 26.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.337 -177.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mm . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 122.03 0.919 . . . . 0.0 111.926 -178.77 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' HG ' ' CB ' ' A' ' 33' ' ' CYS . 49.3 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.927 0.394 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.82 -55.03 40.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.961 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 10.2 tmtt? -60.28 -46.37 90.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.707 -179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD21 HH11 ' A' ' 35' ' ' ARG . 52.3 tp -73.04 -7.28 50.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.632 -177.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 66.32 36.03 5.53 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.066 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.42 146.69 21.04 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -100.64 131.44 46.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.654 0.264 . . . . 0.0 111.28 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.61 106.38 15.28 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -132.73 175.43 9.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.94 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -74.4 -61.41 1.88 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.434 HD22 ' C ' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -118.25 152.9 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.655 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 26.9 m -74.56 138.45 43.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -177.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.75 -159.13 34.86 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.052 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 129.24 40.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.98 0.419 . . . . 0.0 111.261 -177.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.15 49.68 19.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.364 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.0 mt-10 -127.13 156.66 41.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.95 0.405 . . . . 0.0 111.282 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.2 pt-20 -137.53 162.54 33.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.617 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -83.0 134.32 35.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.534 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -124.27 -32.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.907 -171.306 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.534 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -168.17 173.44 7.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 -174.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.61 142.24 47.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.2 m -120.14 172.18 7.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.465 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -72.95 171.54 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.607 ' HB2' HD23 ' A' ' 31' ' ' LEU . 31.2 mtmm 67.47 15.12 9.8 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.395 0.435 . . . . 0.0 110.167 -177.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p 58.66 34.59 23.93 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.62 1.168 . . . . 0.0 112.196 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.7 mm? -84.28 140.38 31.68 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.087 0.47 . . . . 0.0 111.132 172.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB3' HD21 ' A' ' 23' ' ' LEU . 4.6 mptp? -103.26 127.39 50.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.884 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.458 ' CB ' ' HG ' ' A' ' 6' ' ' CYS . 90.8 m -75.27 108.5 8.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 49.3 m -112.51 125.82 54.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.031 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.489 HH11 HD21 ' A' ' 9' ' ' LEU . 16.7 ptt180 -102.62 136.46 42.4 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -85.91 118.49 25.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.074 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--N 1.318 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.984 -175.526 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.875 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 19.1 t . . . . . 0 C--O 1.235 0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.36 -41.26 88.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.179 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -60.97 -38.51 86.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.355 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.72 -5.87 59.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 68.17 30.46 5.73 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.636 0.585 . . . . 0.0 110.352 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.96 172.33 38.43 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 130.73 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.818 0.342 . . . . 0.0 111.402 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.601 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -86.17 100.91 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 176.634 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 175.02 6.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.697 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -34.26 58.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.792 0.806 . . . . 0.0 109.172 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -119.0 148.19 43.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.459 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 23.3 m -83.94 142.23 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.67 -159.74 35.89 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.763 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -58.65 126.54 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 -177.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 57.49 27.83 14.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.808 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 83.7 mt-10 -100.53 139.34 36.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.257 0.551 . . . . 0.0 112.016 -176.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.81 164.61 13.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.453 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.766 HD11 ' HB3' ' A' ' 32' ' ' LYS . 5.1 tp -85.88 116.89 24.4 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.55 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -108.21 -26.85 3.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -171.603 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.55 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -169.61 167.57 9.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.266 0.555 . . . . 0.0 111.305 -177.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.76 124.2 50.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.514 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 13' ' ' CYS . 76.5 m -99.28 -179.85 4.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.553 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.21 168.12 12.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' HD23 ' A' ' 31' ' ' LEU . 2.5 mppt? 59.54 14.53 3.96 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.882 -173.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 68.62 30.22 5.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.704 0.801 . . . . 0.0 111.086 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.3 mm? -75.25 159.93 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.449 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.766 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.4 mtmt -112.46 120.99 43.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.875 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 45.5 t -81.09 115.51 20.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 10.5 m -117.45 138.97 51.5 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.093 -177.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 11.0 ptt180 -117.15 133.81 55.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.593 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 m -81.24 96.54 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.898 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.032 -178.606 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.239 0.513 0 CA-C-O 121.139 0.495 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -59.85 -50.41 73.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.801 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -62.41 -44.09 97.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.063 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.83 1.03 32.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.928 -173.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 71.41 43.96 0.57 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.435 171.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.96 170.03 16.93 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -129.64 135.34 48.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.972 0.386 . . . . 0.0 110.853 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 m -81.34 111.83 18.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.972 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -134.17 175.06 9.83 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.34 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -81.95 -54.49 5.28 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.833 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -114.9 142.2 46.9 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 57.8 m -75.37 132.97 41.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.058 0.456 . . . . 0.0 110.74 -177.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -156.6 32.56 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 17.0 ptmt -41.48 109.56 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.449 0.7 . . . . 0.0 112.678 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 37' ' ' ILE . 2.4 t-20 43.99 57.63 4.07 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.169 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.639 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.2 mt-10 -109.66 143.21 39.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.069 176.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 24' ' ' ILE . 24.8 pt-20 -109.06 146.84 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.12 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.707 HD11 ' CG ' ' A' ' 32' ' ' LYS . 7.9 tp -93.13 116.25 28.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.618 HG21 ' CD ' ' A' ' 35' ' ' ARG . 1.1 pp -114.85 -22.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.714 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -159.19 160.97 36.07 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.741 0.305 . . . . 0.0 110.316 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 32' ' ' LYS . 99.4 mt -116.31 120.16 38.02 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.712 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.1 m -101.53 178.95 4.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.127 -171.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -83.89 171.54 12.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.102 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm 66.47 15.7 10.19 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.561 0.538 . . . . 0.0 110.586 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.7 m 77.92 -1.57 2.58 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.035 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.57 156.36 39.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.707 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.37 157.0 44.48 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.571 172.002 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.503 ' HB3' HG13 ' A' ' 24' ' ' ILE . 34.6 t -81.28 111.87 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -169.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 58.7 m -107.0 128.33 54.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.184 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.618 ' CD ' HG21 ' A' ' 24' ' ' ILE . 55.1 mtp180 -108.14 123.95 49.51 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.639 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -78.65 112.62 15.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.26 0.552 . . . . 0.0 110.185 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 20' ' ' ASN . 31.9 mm . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.592 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 47.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.817 0.342 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -61.0 -42.59 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.289 0.566 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.73 -43.78 97.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.52 -3.93 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.269 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 65.01 37.92 6.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.019 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.8 152.28 22.94 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.639 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -108.56 149.81 28.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.664 0.268 . . . . 0.0 110.657 -176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.19 104.87 11.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.33 0.586 . . . . 0.0 110.159 174.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 19.2 ptpt -136.86 160.19 39.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.216 177.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -84.24 -44.79 13.54 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.635 0.731 . . . . 0.0 109.965 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.481 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 25.3 m-80 -110.09 126.78 54.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.177 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 8.4 m -70.5 137.04 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.11 -158.03 33.32 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.443 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.631 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -46.61 116.09 1.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.01 52.65 12.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.498 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 43.8 mt-10 -125.8 162.74 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.261 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -135.89 157.88 45.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.887 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -80.29 113.11 18.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -100.37 -37.48 5.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.764 -174.615 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.87 165.12 37.67 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.279 -175.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.9 mt -105.41 139.65 39.72 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.0 m -113.89 169.68 8.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.594 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 26.9 mm-40 -71.63 173.01 8.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.88 176.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER 50.8 27.18 2.94 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.203 1.002 . . . . 0.0 112.059 -177.704 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t 71.52 20.8 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.258 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.04 178.5 7.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.174 0.511 . . . . 0.0 110.858 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 152.9 38.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.885 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 96.1 m -88.65 118.92 28.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 66.8 m -117.32 129.87 56.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -112.59 137.06 51.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.549 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 63.6 m -79.3 123.53 27.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.217 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.613 -176.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 20.2 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -59.71 -42.0 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.336 0.588 . . . . 0.0 110.705 178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -58.32 -43.17 88.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.952 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.98 -4.16 58.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.041 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 65.2 34.62 8.36 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.991 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.18 173.77 26.77 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.554 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -123.33 148.98 45.45 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.2 m -87.62 100.94 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -123.28 175.59 6.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -74.31 -46.58 40.11 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 122.052 0.929 . . . . 0.0 109.031 173.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -117.84 149.04 41.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.984 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.3 m -81.91 144.21 31.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.46 -159.46 34.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.899 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -66.33 129.91 41.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.639 0.257 . . . . 0.0 110.89 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.479 ' ND2' ' HB ' ' A' ' 37' ' ' ILE . 64.5 t30 54.13 57.81 5.58 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.078 176.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 80.3 mt-10 -134.22 148.96 50.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.419 -178.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.27 161.56 21.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.89 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.5 tp -85.85 109.37 18.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.543 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -98.11 -26.7 3.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.176 -170.257 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -166.14 162.81 17.89 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.115 0.483 . . . . 0.0 110.951 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.4 tm? -117.0 132.44 56.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.121 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.02 -176.21 2.84 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.491 -172.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.31 170.16 16.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.1 mtmm 65.65 11.64 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.418 0.448 . . . . 0.0 110.424 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 m 72.04 18.53 4.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.951 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -80.31 152.38 29.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.86 ' HB3' HD11 ' A' ' 23' ' ' LEU . 52.2 mttt -125.36 140.18 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 99.8 m -84.35 118.64 24.35 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 120.843 0.354 . . . . 0.0 110.487 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 14' ' ' LYS . 21.7 m -117.19 127.13 53.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB3' HG21 ' A' ' 24' ' ' ILE . 27.1 ptt180 -110.67 139.85 45.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -81.12 117.21 21.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.974 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.479 ' HB ' ' ND2' ' A' ' 20' ' ' ASN . 45.1 mm . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.971 -175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 48.7 t . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.131 0.491 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -62.62 -43.52 98.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -56.68 -36.46 69.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.032 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 96.6 mt -91.74 3.39 55.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.546 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? 67.46 36.21 3.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.433 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.79 149.46 16.6 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.889 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -105.67 133.83 49.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.119 0.485 . . . . 0.0 111.397 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 m -79.43 123.61 27.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.197 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -145.36 170.57 16.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -80.76 -45.58 16.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.821 0.343 . . . . 0.0 110.605 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.69 136.28 54.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 33.4 m -70.6 141.01 51.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.025 0.441 . . . . 0.0 110.839 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.48 -159.36 34.84 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.391 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.71 123.49 14.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.959 0.409 . . . . 0.0 111.578 -177.661 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m120 53.14 46.6 26.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.962 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 20.1 mt-10 -110.27 159.55 17.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.179 0.514 . . . . 0.0 111.88 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.1 pt-20 -126.27 161.91 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.703 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.81 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -95.38 119.0 33.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.59 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -112.93 -22.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -171.298 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -173.24 168.13 4.73 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 121.521 0.677 . . . . 0.0 111.647 -176.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.5 mt -103.22 125.49 49.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.684 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 46.5 t -96.91 160.96 14.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.05 164.87 14.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB2' HD23 ' A' ' 31' ' ' LEU . 30.3 mtmm 69.0 9.36 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.409 0.443 . . . . 0.0 110.177 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m 73.07 16.85 4.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.725 0.81 . . . . 0.0 112.704 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.4 mm? -75.93 162.76 27.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 110.555 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.81 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.2 mppt? -115.96 132.39 56.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 86.3 m -77.26 113.06 14.62 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 32.2 m -118.41 131.95 56.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.59 ' CD ' HG21 ' A' ' 24' ' ' ILE . 73.4 mtp180 -113.23 131.94 55.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.584 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 23.6 m -77.8 111.73 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.419 177.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.647 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -57.1 -65.29 0.65 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.828 0.347 . . . . 0.0 111.613 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.554 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 8.4 p-10 -82.99 0.71 43.45 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.31 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -69.09 -39.74 78.85 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -70.77 -31.77 68.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.159 173.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 37.4 t -63.44 -37.4 87.12 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.945 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.41 -40.43 86.63 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.2 -37.46 87.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.519 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.41 4.93 16.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 70.97 30.47 2.77 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.711 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.492 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -87.59 127.53 8.54 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.311 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -94.42 133.57 37.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.665 0.269 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 4.8 m -81.14 107.57 14.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 110.234 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -127.17 170.49 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.759 178.454 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -75.33 -58.75 3.09 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.068 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 8.2 p30 -113.65 137.98 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.031 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -71.41 137.37 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.0 -157.03 30.88 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.892 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HE3' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -42.71 112.99 0.41 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.092 0.957 . . . . 0.0 112.72 -179.237 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.4 m120 58.28 17.25 4.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.215 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 44.7 mt-10 -95.07 138.8 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.8 pt-20 -122.61 155.77 35.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD11 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tt -82.04 117.03 21.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.561 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -114.03 -21.51 5.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -174.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.1 20.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.087 0.47 . . . . 0.0 111.033 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -99.11 118.09 35.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.617 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -97.26 179.7 4.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.341 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -84.57 171.86 12.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' HB2' HD23 ' A' ' 31' ' ' LEU . 40.6 mtmt 64.3 15.11 9.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.7 m 74.28 13.63 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.501 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -79.82 152.74 29.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.691 0.281 . . . . 0.0 110.249 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HG2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -129.89 135.47 48.4 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.539 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -74.81 108.62 7.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.575 -179.361 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 39.3 m -109.78 128.04 55.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.029 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.561 ' CD ' HG21 ' A' ' 24' ' ' ILE . 78.0 mtp180 -96.54 131.85 42.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.319 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 9.5 m -79.58 89.39 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.682 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.696 HG23 HG23 ' A' ' 44' ' ' ILE . 38.3 mm -71.73 144.04 13.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.725 -173.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 9.5 pt20 -82.36 128.53 66.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.412 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 4.9 Cg_exo -81.12 -172.68 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.163 2.575 . . . . 0.0 112.247 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.2 t 80.77 -47.18 0.27 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.883 0.873 . . . . 0.0 110.999 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.49 177.07 26.91 Favored Glycine 0 C--N 1.317 -0.497 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -71.67 77.76 0.83 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.03 0.443 . . . . 0.0 111.323 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.499 ' HB ' HD13 ' A' ' 44' ' ' ILE . 2.6 pt 38.48 -114.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.366 -1.288 . . . . 0.0 113.092 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.696 HG23 HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -132.83 10.77 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 120.914 0.388 . . . . 0.0 110.773 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.247 -175.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.413 0.149 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -55.19 -55.52 30.27 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -175.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 7.4 p-10 -88.12 2.2 52.59 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.974 -0.69 . . . . 0.0 111.644 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -72.58 -38.4 67.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 168.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -66.84 -41.53 87.25 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.242 171.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.496 ' HG ' ' CB ' ' A' ' 33' ' ' CYS . 32.0 t -58.01 -41.82 83.9 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.511 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.87 -44.66 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.479 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.94 -43.2 91.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.232 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.49 -1.62 56.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.442 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 60.15 39.59 19.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.95 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.57 174.74 29.71 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.249 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -128.74 134.29 48.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.613 0.245 . . . . 0.0 110.737 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.45 108.54 13.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.859 0.361 . . . . 0.0 110.178 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -133.54 174.23 10.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.488 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -89.54 -53.27 4.61 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.893 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -111.04 130.16 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.416 . . . . 0.0 110.309 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.645 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 55.5 m -71.61 135.53 46.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.025 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.49 -158.17 33.34 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -53.47 111.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 112.849 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.06 52.82 11.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.03 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.6 mt-10 -119.76 143.25 47.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.509 177.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.612 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 10.1 pt-20 -118.96 155.27 31.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.309 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.624 ' HG ' ' HD2' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -91.49 107.89 19.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.624 HG21 ' HG3' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -108.76 -20.84 5.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.701 -166.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -158.55 164.3 36.23 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' HE3' ' A' ' 32' ' ' LYS . 2.5 tm? -115.08 133.37 56.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.58 0.705 . . . . 0.0 110.088 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.1 m -119.17 -179.71 3.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.764 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -75.04 169.44 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.7 mtmm 65.48 12.79 8.43 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -177.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m 74.45 12.34 3.92 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.9 mm? -74.12 154.33 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.536 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD2' ' HG ' ' A' ' 23' ' ' LEU . 9.5 mttp -131.03 153.05 49.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.548 ' HB2' HG13 ' A' ' 24' ' ' ILE . 69.5 m -80.84 118.64 22.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.645 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 99.1 m -102.76 129.46 49.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.044 174.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HG3' HG21 ' A' ' 24' ' ' ILE . 18.1 mtm180 -100.76 124.08 45.89 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.619 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.2 m -79.0 92.62 4.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.973 0.796 . . . . 0.0 109.951 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.555 HG23 HG12 ' A' ' 44' ' ' ILE . 30.2 mm -67.94 122.76 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.741 -174.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -85.78 135.79 37.51 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.254 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.83 121.97 10.08 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.313 2.009 . . . . 0.0 111.097 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 t 72.84 2.57 4.42 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.791 0.682 . . . . 0.0 111.123 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.6 150.93 51.21 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.341 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 33.9 m -77.37 172.84 12.67 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 122.669 -0.312 . . . . 0.0 110.992 -178.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 42' ' ' SER . 67.6 mt 78.22 -15.09 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.664 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.555 HG12 HG23 ' A' ' 37' ' ' ILE . 2.0 tp -144.17 -51.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.512 -175.143 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.31 0.1 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -57.84 -60.18 4.1 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.115 0.483 . . . . 0.0 110.796 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.558 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 11.2 p-10 -83.11 -1.59 53.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.568 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.07 -41.74 77.15 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -73.27 -27.61 61.66 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.747 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 24' ' ' ILE . 8.2 t -63.53 -42.06 98.46 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -61.04 -32.47 72.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.424 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.66 -37.84 79.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.188 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.45 12.6 3.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.478 0.656 . . . . 0.0 110.233 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.8 mmtp 72.56 29.21 2.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.549 169.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.62 84.82 0.5 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 p -71.28 145.53 49.48 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.205 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 3.2 m -81.09 99.24 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.177 0.513 . . . . 0.0 110.528 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' HA ' HD12 ' A' ' 31' ' ' LEU . 19.1 ptpt -133.91 163.01 30.48 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.82 174.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -81.47 -46.5 14.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.147 0.498 . . . . 0.0 110.781 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -116.83 142.21 47.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.367 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.6 m -77.78 132.62 38.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.565 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.93 -156.22 31.93 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.97 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.72 127.61 23.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.044 0.449 . . . . 0.0 111.412 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' HG12 ' A' ' 37' ' ' ILE . 3.6 m-20 56.51 28.61 14.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.019 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 47.6 mt-10 -113.56 142.51 45.87 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.899 -0.72 . . . . 0.0 112.098 -176.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.3 pt-20 -124.45 155.5 38.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.543 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD11 ' CB ' ' A' ' 32' ' ' LYS . 6.1 tp -88.37 114.83 25.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.594 HD11 ' SG ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -114.63 -20.33 6.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.749 -171.307 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -165.8 165.13 18.62 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 111.078 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.12 139.28 37.95 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.911 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.5 m -112.83 176.85 4.84 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -84.98 173.12 10.79 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt 66.19 13.69 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.511 0.507 . . . . 0.0 110.731 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 m 77.61 9.18 2.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.964 0.906 . . . . 0.0 112.239 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' LYS . 3.5 mm? -84.26 166.73 17.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 122.391 -0.193 . . . . 0.0 110.588 175.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.684 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.1 mptt -134.16 163.25 30.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 60.8 m -88.75 104.23 16.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.279 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 73.4 m -105.65 117.87 35.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.932 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 69.8 mtp180 -92.65 128.42 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.135 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.9 m -81.56 104.01 11.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 109.689 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 HG21 ' A' ' 44' ' ' ILE . 43.7 mm -70.79 108.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.133 -175.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -106.96 133.0 20.47 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.546 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.88 119.27 5.99 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.909 2.406 . . . . 0.0 112.013 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.6 p -172.33 171.56 4.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.123 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.21 135.89 13.91 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.66 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 m 69.04 -177.29 0.21 Allowed 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.903 0.481 . . . . 0.0 110.853 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.2 mm 73.77 -61.96 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 123.116 0.567 . . . . 0.0 110.727 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 37' ' ' ILE . 13.5 tt -170.18 148.51 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.426 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.226 177.508 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.418 0.151 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -58.89 -51.85 68.25 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.105 0.479 . . . . 0.0 110.91 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 3.4 p30 -85.94 -1.05 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.564 -177.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.69 -41.68 78.83 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 168.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -68.68 -36.14 78.14 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.316 172.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 34.1 t -59.43 -40.99 88.53 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.218 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -60.88 -45.95 92.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.647 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -53.53 -44.96 69.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.669 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.78 -9.85 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.45 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 57.87 46.99 15.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.942 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 176.53 31.15 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.982 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -127.24 130.4 49.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.971 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -75.13 107.66 7.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.768 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -132.55 174.5 10.21 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.356 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -80.85 -51.63 8.39 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.122 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -118.53 137.73 53.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.586 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 35.5 m -69.07 141.18 54.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 -171.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.29 -159.75 28.31 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.27 118.99 7.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.305 0.574 . . . . 0.0 111.111 -177.174 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 57.91 53.22 7.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.257 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 86.9 mt-10 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -127.84 162.03 27.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.835 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.899 HD11 ' HB3' ' A' ' 32' ' ' LYS . 1.3 tp -83.41 111.87 19.42 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -98.61 -35.29 4.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.451 -175.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.54 158.53 34.15 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.074 0.464 . . . . 0.0 111.514 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.59 115.34 29.93 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.461 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 99.3 m -97.03 175.74 6.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.336 -172.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.66 171.08 13.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.073 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' HD23 ' A' ' 31' ' ' LEU . 44.7 mtmt 61.0 18.85 9.33 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.2 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 p 59.89 21.41 10.38 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.134 1.373 . . . . 0.0 112.618 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.5 mm? -75.12 159.17 31.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.09 0.472 . . . . 0.0 110.74 173.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.899 ' HB3' HD11 ' A' ' 23' ' ' LEU . 12.8 mptt -115.45 134.98 54.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.132 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.598 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 42.3 t -81.09 114.53 20.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.586 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 35.7 m -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.099 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -106.37 132.6 52.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.325 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.533 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -77.61 123.17 26.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.466 HG21 HG21 ' A' ' 44' ' ' ILE . 29.8 mm -69.64 118.09 13.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.48 0.657 . . . . 0.0 111.597 -173.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -77.7 142.56 66.04 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.909 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.1 117.94 4.29 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.243 1.962 . . . . 0.0 110.828 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.0 m -122.86 164.99 17.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.776 -173.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.95 119.47 8.11 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.3 m 69.19 123.39 0.03 OUTLIER 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.189 0.595 . . . . 0.0 110.881 -173.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.42 HG22 HG22 ' A' ' 44' ' ' ILE . 33.4 mt 76.99 132.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.994 175.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.466 HG21 HG21 ' A' ' 37' ' ' ILE . 19.7 tt 44.15 97.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.187 1.395 . . . . 0.0 114.335 172.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.005 176.126 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.261 0.077 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -48.68 -55.16 12.13 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.56 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 8.0 p-10 -93.92 3.23 55.67 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.622 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.09 -38.62 63.83 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 168.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -73.0 -33.18 65.61 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.404 173.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.56 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 36.4 t -62.19 -45.34 93.82 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.268 0.556 . . . . 0.0 109.812 175.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -58.89 -44.4 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.648 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -60.23 -38.33 83.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.126 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.43 -0.59 57.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 61.06 38.88 16.85 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.866 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.76 165.28 25.67 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -117.04 147.96 41.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.009 0.404 . . . . 0.0 110.472 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 8.7 m -87.92 105.97 17.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -129.68 175.49 8.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.388 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -74.64 -69.51 0.46 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.748 0.785 . . . . 0.0 110.56 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -112.61 144.73 41.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.613 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 31.1 m -71.41 135.23 47.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.421 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.79 -158.62 34.19 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.95 129.83 41.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.909 0.385 . . . . 0.0 111.294 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 36' ' ' THR . 17.0 m120 53.01 55.17 9.3 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.557 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 41.8 mt-10 -136.28 152.62 50.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.03 0.443 . . . . 0.0 111.261 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -131.03 164.9 24.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.949 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD11 ' CB ' ' A' ' 32' ' ' LYS . 3.9 tp -89.44 109.63 20.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.238 0.542 . . . . 0.0 109.635 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -98.09 -33.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.288 -170.726 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.16 165.12 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.16 0.505 . . . . 0.0 111.265 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.94 124.5 52.52 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.175 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 3' ' ' ASP . 31.8 m -111.24 165.89 11.55 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.052 0.453 . . . . 0.0 111.26 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 78.3 mt-30 -71.87 172.17 10.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.859 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.04 9.74 7.15 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.396 -172.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.7 m 76.01 0.72 3.36 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.2 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.65 149.89 48.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.61 ' CB ' HD11 ' A' ' 23' ' ' LEU . 2.1 mptp? -120.39 152.67 37.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 94.7 m -86.83 120.59 28.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.423 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 82.1 m -114.35 132.8 56.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.9 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -114.69 134.74 54.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.987 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.443 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 15.6 m -80.74 120.12 24.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.627 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mm -71.39 132.54 33.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.37 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -94.67 129.46 36.25 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.234 173.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 40' ' ' SER . 74.4 Cg_exo -50.04 132.38 32.72 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.804 2.336 . . . . 0.0 111.94 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 39' ' ' PRO . 35.9 t 74.77 -2.78 2.75 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.815 0.697 . . . . 0.0 110.931 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.45 137.63 27.85 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.161 -0.543 . . . . 0.0 111.989 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -96.95 -170.14 1.99 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.5 mt 76.44 -42.38 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.952 0.501 . . . . 0.0 111.936 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -72.99 173.6 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.547 -176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.732 -178.685 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.501 0.191 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -55.56 -55.33 33.16 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 10.2 p-10 -90.93 8.4 35.31 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.669 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.32 -36.14 46.75 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 165.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -67.11 -39.54 86.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.151 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 21.5 t -61.32 -42.98 99.56 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.541 176.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -62.58 -49.89 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.869 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -53.48 -45.63 69.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 43' ' ' ILE . 81.8 mt -82.11 -11.5 58.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 43.2 mmtm 62.68 42.39 8.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.904 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.4 177.24 29.57 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -131.09 154.31 48.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.356 0.598 . . . . 0.0 111.162 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.562 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.8 m -89.35 110.38 21.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.174 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -127.6 166.94 17.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.901 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -76.58 -50.9 12.7 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -119.63 135.65 54.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.767 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 33.9 m -69.83 134.89 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.993 0.425 . . . . 0.0 110.488 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.22 -158.8 33.04 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.316 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.71 133.12 55.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 111.141 -178.362 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 51.53 52.26 15.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.332 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.7 mt-10 -132.55 161.62 33.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.179 0.514 . . . . 0.0 111.288 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -143.39 159.16 42.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.223 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.17 119.17 22.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -108.49 -34.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -175.359 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.07 166.18 34.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.718 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.4 mt -109.4 154.58 22.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.1 m -146.49 175.63 10.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.62 171.87 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.746 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HB2' HD23 ' A' ' 31' ' ' LEU . 48.0 mtmt 65.04 10.67 6.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.258 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t 71.22 22.13 4.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.603 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.5 mm? -82.51 145.73 29.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 174.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -124.57 140.18 53.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 83.9 m -73.17 113.24 10.01 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.503 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 60.1 m -112.79 130.52 56.05 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.829 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 28.1 ptt180 -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.729 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m -87.48 117.81 26.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.648 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.54 HG23 HG21 ' A' ' 44' ' ' ILE . 31.5 mm -62.19 99.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.226 -173.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.607 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 98.6 mt-30 -81.54 176.22 4.05 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 114.362 -1.29 . . . . 0.0 108.195 170.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.607 ' HD2' ' HB3' ' A' ' 38' ' ' GLN . 21.2 Cg_exo -38.21 146.51 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.547 2.165 . . . . 0.0 113.203 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -55.95 -20.77 17.53 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -168.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.61 118.84 4.96 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.723 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.9 m 72.37 165.15 0.29 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.37 0.668 . . . . 0.0 111.433 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.45 ' HA ' HD22 ' A' ' 9' ' ' LEU . 48.0 mm 68.89 -74.48 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.215 0.606 . . . . 0.0 111.465 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.54 HG21 HG23 ' A' ' 37' ' ' ILE . 4.2 tt -98.23 147.4 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--O 1.248 1.003 0 O-C-N 123.602 0.564 . . . . 0.0 110.465 -177.339 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.496 0.189 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -56.48 -40.72 75.37 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 5.3 p-10 -94.9 5.39 52.04 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.962 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -73.94 -39.86 63.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 164.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -63.57 -44.58 93.68 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.496 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 42.7 t -54.44 -42.25 70.35 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.196 0.522 . . . . 0.0 110.665 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -56.72 13.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.317 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.2 -35.21 77.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.046 -175.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.6 tp -84.07 -7.82 59.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.533 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 67.79 33.56 4.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.986 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.74 157.25 50.35 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.429 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -126.2 142.86 51.36 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 122.685 -0.303 . . . . 0.0 110.23 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -84.05 103.08 12.99 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -132.91 165.65 24.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.564 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -83.53 -43.5 15.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 110.711 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -118.94 134.77 54.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.99 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 24.8 m -71.29 141.2 50.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.326 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.56 -158.13 34.14 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.079 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.01 125.23 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 111.62 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.2 41.62 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.63 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 71.6 mt-10 -122.44 164.18 18.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.479 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 pt-20 -150.08 161.25 42.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.46 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.18 121.93 23.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.133 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -111.56 -34.52 2.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.91 0.386 . . . . 0.0 110.789 -176.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.32 162.81 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.344 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.6 mt -102.17 137.44 40.44 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 172.96 6.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.653 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -68.81 171.43 7.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HB2' HD23 ' A' ' 31' ' ' LEU . 50.8 mtmt 61.3 15.28 6.34 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.651 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p 58.68 29.36 18.48 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.878 1.271 . . . . 0.0 112.065 -174.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.8 mm? -80.55 167.1 20.5 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.05 139.6 51.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 50.7 t -79.2 115.14 18.67 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 85.0 m -110.21 136.42 49.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.278 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 31.2 ptt180 -110.12 138.6 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.572 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -82.71 113.62 20.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.836 175.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.701 HG23 HG21 ' A' ' 44' ' ' ILE . 23.1 mm -65.66 105.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.498 -174.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 79.5 mt-30 -105.45 132.83 20.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.728 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 19.8 Cg_exo -65.61 122.6 10.29 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.78 2.32 . . . . 0.0 112.464 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 m -135.06 -145.27 0.22 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.03 122.65 30.93 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m 60.51 -144.8 0.49 Allowed 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -170.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 44' ' ' ILE . 1.2 pt -79.86 -82.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.82 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.701 HG21 HG23 ' A' ' 37' ' ' ILE . 5.7 pt -147.98 -171.88 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.33 -174.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.776 176.182 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 111.316 0.117 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -58.84 -56.73 18.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.664 0.269 . . . . 0.0 111.555 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 10.2 p-10 -89.07 0.59 56.57 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.768 -175.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -67.4 -45.29 76.62 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 166.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -37.21 84.12 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.925 173.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 40.2 t -57.97 -49.11 77.92 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.202 0.525 . . . . 0.0 110.375 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -58.17 -51.1 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.005 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -70.53 -23.36 62.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.915 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -88.17 -6.09 58.05 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.036 0.446 . . . . 0.0 110.792 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.65 41.38 1.66 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.063 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.8 169.41 12.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -129.51 130.32 45.66 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 117.184 0.492 . . . . 0.0 111.457 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 12.2 m -84.16 98.87 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.708 ' HE3' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -119.76 176.92 5.16 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.777 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -79.95 -54.88 5.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.63 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 7.5 p30 -122.42 139.08 54.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.203 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 m -71.45 131.28 43.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.941 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -158.5 34.61 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.425 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.72 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -49.08 120.84 4.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.297 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 51.4 46.98 25.68 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.774 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 50.9 mt-10 -120.16 137.19 54.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.008 0.433 . . . . 0.0 111.726 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 8.9 pt-20 -122.79 151.31 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.526 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.38 127.43 32.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.478 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -120.93 -25.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -175.119 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -158.56 160.69 36.9 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 120.857 0.361 . . . . 0.0 110.598 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -109.83 140.07 44.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.031 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.71 -176.3 3.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -90.83 172.66 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.55 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HE2' HD12 ' A' ' 31' ' ' LEU . 33.7 mtmm 64.93 36.96 7.29 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.548 0.53 . . . . 0.0 111.016 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 p 52.87 29.54 7.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.263 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 79.2 mt -107.15 150.14 26.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.755 177.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HD2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -147.48 151.41 36.35 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.251 173.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -78.53 122.92 26.5 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.067 -171.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 94.8 m -125.91 136.77 53.43 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.447 170.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.478 ' CD ' HG21 ' A' ' 24' ' ' ILE . 70.2 mtp180 -105.89 136.47 45.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.325 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.3 m -76.93 103.45 6.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.799 0.687 . . . . 0.0 109.881 176.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.519 HD12 HG21 ' A' ' 44' ' ' ILE . 35.0 mm -79.22 112.54 17.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.097 -175.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -107.07 129.73 23.91 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.762 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 40' ' ' SER . 34.2 Cg_exo -60.25 139.55 87.58 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.679 2.253 . . . . 0.0 111.336 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' PRO . 60.0 m 72.33 0.23 3.51 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.716 0.635 . . . . 0.0 111.449 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.17 175.33 42.65 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.127 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -76.13 150.81 37.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.773 0.32 . . . . 0.0 110.517 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.9 mt 71.7 -66.23 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.027 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.519 HG21 HD12 ' A' ' 37' ' ' ILE . 13.0 tt -122.13 138.38 52.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.938 0.399 . . . . 0.0 111.282 -174.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.213 -178.683 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.199 0.047 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -50.98 -58.77 5.19 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.822 0.344 . . . . 0.0 111.629 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.469 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 8.5 p-10 -87.5 -2.09 58.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.631 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.74 -35.98 72.93 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -74.25 -32.75 63.07 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.369 173.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 53.2 t -57.65 -43.05 84.66 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.013 175.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.99 -42.58 99.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.563 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -58.57 -41.71 86.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.856 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.29 -12.12 59.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.94 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttm 66.48 36.27 5.15 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.926 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.11 174.81 25.56 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.007 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -122.07 154.58 37.14 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.338 0.59 . . . . 0.0 110.861 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 16.1 m -94.51 101.19 13.08 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.803 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -131.05 170.48 14.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.474 177.572 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -88.13 -53.06 4.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.173 0.511 . . . . 0.0 110.389 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 18.8 m-80 -102.28 127.92 49.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.684 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.1 m -70.71 124.0 23.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.916 0.389 . . . . 0.0 110.112 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.76 -158.41 24.62 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.027 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.646 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -54.36 126.25 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.733 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 54.04 51.13 15.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.867 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 42.7 mt-10 -131.28 143.34 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.701 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' HG22 ' A' ' 24' ' ' ILE . 14.6 pt-20 -123.7 158.42 31.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -85.42 118.22 24.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.65 HG21 ' CG ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -116.77 -13.61 10.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -171.705 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -171.34 161.54 6.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.226 0.536 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -106.26 132.55 52.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.608 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 76.1 m -113.28 168.74 9.48 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -68.8 170.83 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.296 176.703 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HB2' HD23 ' A' ' 31' ' ' LEU . 41.8 mtmt 68.23 9.86 7.48 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.28 0.363 . . . . 0.0 110.445 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 70.01 19.08 7.0 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.953 -174.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.7 mm? -82.07 -175.06 5.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.887 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.72 ' HB3' HD11 ' A' ' 23' ' ' LEU . 29.1 mttt -150.22 152.84 35.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.82 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 22.6 t -92.39 115.17 27.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -111.93 128.88 56.28 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.084 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.65 ' CG ' HG21 ' A' ' 24' ' ' ILE . 26.3 mtm180 -101.71 127.41 48.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.448 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 6.3 m -77.04 110.84 12.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.555 HD12 HD13 ' A' ' 44' ' ' ILE . 34.8 mm -69.57 100.91 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.568 -175.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -110.51 130.36 22.97 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 114.657 -1.156 . . . . 0.0 108.531 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.2 118.24 3.44 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.521 2.147 . . . . 0.0 111.991 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.6 m -134.67 166.91 21.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.227 -176.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.05 118.86 5.06 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 t 65.46 -171.77 0.19 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.3 mt 68.99 -72.1 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.173 0.589 . . . . 0.0 111.204 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.555 HD13 HD12 ' A' ' 37' ' ' ILE . 19.8 tt -169.96 156.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.288 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.058 -0.972 . . . . 0.0 109.771 178.439 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 111.188 0.07 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -53.57 -59.53 4.48 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.514 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 7.1 p-10 -88.54 5.63 41.82 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.833 -177.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 36.1 tt0 -75.1 -42.71 56.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -64.0 -35.64 81.38 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.768 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 32.5 t -61.47 -39.85 92.38 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.102 176.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.37 -39.36 89.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.486 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 34.7 mmtp -57.72 -39.64 77.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.345 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' HG ' ' HD2' ' A' ' 35' ' ' ARG . 3.7 mm? -90.6 -5.34 56.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.147 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 63.06 28.38 16.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.107 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 -169.01 32.56 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 t -150.07 154.89 38.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 15.7 m -78.11 103.14 7.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.266 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -129.95 170.61 13.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.046 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -85.88 -53.47 5.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.133 0.492 . . . . 0.0 110.535 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -105.59 132.9 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.281 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.9 m -70.88 133.91 46.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.376 . . . . 0.0 110.129 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.35 -158.42 34.23 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.63 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.761 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -52.61 125.08 15.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.127 0.489 . . . . 0.0 111.943 179.059 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 60.32 19.16 8.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.877 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 43.2 mt-10 -107.87 138.61 43.81 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.963 0.411 . . . . 0.0 111.347 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -129.41 160.67 32.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.506 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.632 HD11 ' CB ' ' A' ' 32' ' ' LYS . 6.0 tp -76.34 122.22 24.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.167 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.623 HG21 ' HD3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -112.98 -28.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.459 -174.158 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.573 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.52 158.03 33.21 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.366 0.603 . . . . 0.0 111.556 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.05 112.17 24.37 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.843 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.5 m -97.01 166.75 11.45 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.779 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 14.2 mm100 -79.55 171.3 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.906 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.78 11.34 8.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.651 0.594 . . . . 0.0 110.119 -173.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.0 m 76.16 7.21 3.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.256 1.023 . . . . 0.0 112.31 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.11 168.13 20.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.469 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HD11 ' A' ' 23' ' ' LEU . 11.7 mptt -132.47 158.21 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' HG ' ' CB ' ' A' ' 6' ' ' CYS . 46.9 t -92.41 115.91 28.51 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 61.1 m -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.623 ' HD3' HG21 ' A' ' 24' ' ' ILE . 18.1 ptt-85 -116.49 142.37 46.95 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.284 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -82.6 112.97 19.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.484 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.867 HD13 HG21 ' A' ' 44' ' ' ILE . 2.2 mm -63.18 110.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.16 177.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 53.7 mt-30 -111.55 128.31 25.59 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.429 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 18.7 Cg_exo -67.89 120.01 7.01 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.761 2.307 . . . . 0.0 112.544 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.1 m -153.0 -160.28 1.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.7 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.28 123.17 31.6 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.92 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 t 62.71 -145.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 pt -80.86 -178.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.019 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.867 HG21 HD13 ' A' ' 37' ' ' ILE . 9.4 tt -74.93 124.34 32.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.678 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.406 -177.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 t80 . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.764 0.316 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -61.88 -45.66 92.8 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.924 -173.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.498 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 4.2 p30 -91.23 0.49 57.52 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.613 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -65.74 -44.82 84.82 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 168.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -65.75 -44.02 87.18 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.773 173.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB2' ' HA ' ' A' ' 3' ' ' ASP . 5.9 t -58.37 -48.51 80.36 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.816 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -58.13 -41.29 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.392 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -67.27 -27.25 67.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.582 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.8 mm? -97.8 -4.74 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.556 0.217 . . . . 0.0 111.054 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.83 27.26 12.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.051 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.82 179.35 32.77 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.653 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -125.58 148.88 48.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.2 m -86.03 100.37 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -124.15 172.87 8.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.048 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 41.4 m-80 -88.31 -52.83 5.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.876 0.37 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.17 129.23 56.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 7.1 m -74.4 147.77 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.424 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.88 -157.49 18.4 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.425 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.8 130.3 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.099 0.476 . . . . 0.0 112.143 -178.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 58.66 28.6 17.41 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.554 172.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -110.23 152.61 25.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.221 0.534 . . . . 0.0 111.539 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 37' ' ' ILE . 13.9 pt-20 -127.95 156.26 42.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.52 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.706 HD11 ' CG ' ' A' ' 32' ' ' LYS . 9.4 tp -92.11 118.04 30.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.64 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -114.81 -20.86 5.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.827 -168.373 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.63 155.92 20.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.636 0.255 . . . . 0.0 110.363 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.43 119.98 41.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.984 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 88.9 m -97.53 -175.83 3.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.781 -175.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -90.22 173.27 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.186 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 67.29 15.55 9.98 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.047 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t 80.97 -4.2 1.74 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.441 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' CYS . 3.7 mm? -74.96 153.26 38.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 174.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.706 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.69 160.31 41.41 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 120.965 0.412 . . . . 0.0 110.966 171.01 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 23.2 t -82.52 119.38 24.15 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.422 -168.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 32.7 m -117.02 130.56 56.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.391 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.64 ' CD ' HG21 ' A' ' 24' ' ' ILE . 1.8 ptm180 -117.15 136.17 53.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.313 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 m -79.96 109.99 14.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.328 0.585 . . . . 0.0 109.802 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 44' ' ' ILE . 35.4 mm -73.82 126.21 34.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -174.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.57 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 71.4 mt-30 -75.28 171.81 10.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.471 175.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 38' ' ' GLN . 66.0 Cg_exo -42.45 146.08 0.82 Allowed 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.68 2.253 . . . . 0.0 112.937 176.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -67.85 -12.81 61.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.779 -173.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.98 116.5 4.28 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 119.863 -1.16 . . . . 0.0 111.592 176.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 m 65.6 159.45 0.12 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.092 0.557 . . . . 0.0 111.8 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.5 mt 74.32 -66.68 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.292 0.637 . . . . 0.0 111.694 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.597 HD13 HD12 ' A' ' 37' ' ' ILE . 6.2 tt -141.94 130.42 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.992 0.425 . . . . 0.0 110.806 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.326 178.666 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -58.42 -45.92 87.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 110.686 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.435 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 4.0 p30 -88.14 3.23 49.95 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.587 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.22 -34.53 59.23 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 169.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -69.43 -37.84 77.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.356 170.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.562 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.7 t -57.7 -42.7 84.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 109.622 174.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -59.24 -50.89 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.815 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -58.19 -44.29 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.182 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.85 -0.59 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 66.19 40.62 3.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.627 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.04 169.34 13.06 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -116.69 147.78 41.66 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 4.4 m -88.58 106.5 18.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -118.9 174.86 6.05 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.278 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.13 -23.41 28.45 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.467 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -145.73 148.42 32.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.602 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 23' ' ' LEU . 46.4 m -86.74 131.19 34.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.64 -158.18 31.42 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.363 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 120.64 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.398 0.618 . . . . 0.0 111.868 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 56.95 32.08 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.892 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 49.1 mt-10 -108.39 156.23 19.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.628 0.251 . . . . 0.0 110.462 176.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -137.7 159.15 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.473 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 32' ' ' LYS . 5.0 tp -84.45 118.22 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.533 HG13 ' HB3' ' A' ' 33' ' ' CYS . 1.2 pp -113.52 -20.38 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.59 -172.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.86 158.97 13.14 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD12 ' HG3' ' A' ' 32' ' ' LYS . 47.8 tp -106.01 136.89 44.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.455 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.6 m -115.61 175.03 5.71 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.466 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -74.4 172.22 12.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HB2' HD23 ' A' ' 31' ' ' LEU . 36.7 mtmm 64.12 10.65 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.736 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 t 76.48 7.43 3.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.752 0.821 . . . . 0.0 111.594 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -73.4 162.87 28.82 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.514 0.197 . . . . 0.0 110.629 175.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HB2' HD11 ' A' ' 23' ' ' LEU . 7.5 mptt -137.1 155.18 49.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.763 0.316 . . . . 0.0 110.506 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.562 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 49.5 t -83.59 116.56 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.558 -177.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.66 121.41 44.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.581 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' CD ' HG21 ' A' ' 24' ' ' ILE . 65.5 mtp180 -106.9 130.65 54.54 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.572 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -82.17 112.74 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.377 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.61 ' HA ' HG23 ' A' ' 44' ' ' ILE . 2.5 mm -54.09 119.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.268 -176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -80.73 132.01 59.02 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.395 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.5 178.08 8.06 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.87 2.38 . . . . 0.0 112.189 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m 73.64 -61.64 0.49 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.374 0.67 . . . . 0.0 112.06 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.66 119.61 5.32 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.72 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p 42.01 -114.6 0.27 Allowed 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.534 0.734 . . . . 0.0 111.992 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.566 HG13 ' H ' ' A' ' 44' ' ' ILE . 1.9 pt -140.37 -88.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.066 175.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.61 HG23 ' HA ' ' A' ' 37' ' ' ILE . 2.6 pt -129.31 29.25 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.77 0.795 . . . . 0.0 109.723 176.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--O 1.246 0.873 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.251 -179.67 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 111.177 0.066 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -55.35 -47.79 75.21 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.755 0.312 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 6.6 p-10 -93.76 1.84 56.4 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.951 -0.699 . . . . 0.0 112.009 -178.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -72.18 -39.14 68.86 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 166.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.31 -44.17 92.43 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.276 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 36.5 t -56.35 -43.93 79.56 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.54 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.824 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -64.17 -33.03 74.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -89.77 -1.74 58.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.576 0.227 . . . . 0.0 111.243 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 66.41 32.13 7.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.205 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.26 -169.71 23.95 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.651 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 m -147.87 150.36 33.98 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.3 m -89.58 109.69 20.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -130.19 175.51 8.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.8 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.65 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 22.2 t-20 -70.36 -64.92 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.528 0.68 . . . . 0.0 110.488 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -123.48 144.45 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.331 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -71.32 144.15 50.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -177.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.43 -159.04 33.68 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.24 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.16 131.4 49.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.893 0.377 . . . . 0.0 111.984 -177.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 40.45 60.53 1.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.802 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 23.1 mt-10 -120.18 154.29 35.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.839 173.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -122.86 155.1 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -91.7 137.25 32.52 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.603 0.716 . . . . 0.0 109.692 176.489 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -130.93 -30.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.181 -170.022 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -161.74 155.38 21.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 32' ' ' LYS . 81.9 mt -107.78 133.35 52.3 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.114 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.6 m -113.79 178.12 4.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 -174.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -90.86 174.88 7.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.87 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 70.1 25.05 4.81 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.712 0.633 . . . . 0.0 111.182 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.3 t 68.5 21.33 8.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.52 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 94.6 mt -106.89 155.06 20.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.24 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.666 ' CG ' HD21 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -144.68 154.9 43.25 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.368 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.5 t -75.59 108.92 8.74 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.868 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' HE3' ' A' ' 32' ' ' LYS . 19.0 m -111.23 127.4 55.6 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.637 175.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.741 ' CD ' HG21 ' A' ' 24' ' ' ILE . 2.6 ptm180 -122.93 127.05 48.39 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.299 0.571 . . . . 0.0 110.537 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.598 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -72.25 134.5 45.63 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.243 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 44' ' ' ILE . 8.5 mm -55.88 123.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.987 175.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.94 155.79 29.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.801 -173.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.94 -171.19 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 123.598 2.866 . . . . 0.0 113.799 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 m -45.03 -40.67 6.81 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -175.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.78 117.13 8.39 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.547 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.2 m 55.38 -168.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.278 0.631 . . . . 0.0 112.177 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.4 pt -93.87 -167.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.752 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 35' ' ' ARG . 6.6 tt -82.76 -34.85 11.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.771 0.32 . . . . 0.0 110.302 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.371 -174.357 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.369 0.128 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -62.76 -55.74 23.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.569 0.223 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 8.8 p-10 -85.18 -2.15 57.7 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.711 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.91 -40.87 78.88 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 169.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -66.8 -38.83 87.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.376 172.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 3' ' ' ASP . 36.4 t -57.84 -44.16 86.34 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -64.66 -35.79 82.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.863 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -32.99 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.07 -5.25 59.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt 65.32 35.93 7.26 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.741 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.35 176.83 17.68 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.763 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -125.9 150.58 47.83 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.426 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 m -83.81 102.02 12.03 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -123.86 166.16 16.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.918 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.35 -48.66 32.41 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.706 0.288 . . . . 0.0 111.043 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.14 142.2 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.5 m -70.14 142.06 52.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.206 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.09 -158.99 34.06 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.826 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.594 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 2.6 pptp? -57.88 122.96 14.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 54.71 44.32 28.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.542 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 40.3 mt-10 -118.86 138.95 52.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -109.65 156.1 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.9 tp -82.35 116.25 21.76 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.546 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -104.62 -33.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.558 -170.058 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.546 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.52 172.78 14.94 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.935 0.398 . . . . 0.0 110.849 -174.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 49.5 tp -123.5 142.31 51.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.107 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -129.47 -177.35 4.22 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.489 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.53 170.86 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.039 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' HD23 ' A' ' 31' ' ' LEU . 48.6 mtmt 61.62 14.86 6.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.7 p 61.27 24.63 14.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.831 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 13' ' ' CYS . 2.0 mm? -79.04 152.5 30.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.643 ' HB3' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -126.66 145.18 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.093 0.473 . . . . 0.0 110.891 177.639 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 72.2 m -83.99 128.67 34.71 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.228 -175.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 57.9 m -121.41 135.34 55.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.129 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HD3' HG21 ' A' ' 24' ' ' ILE . 27.9 ptt180 -117.88 134.52 54.86 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.509 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.8 m -83.18 120.69 26.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.337 -177.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.848 HD13 HD12 ' A' ' 44' ' ' ILE . 1.6 mm -63.97 106.38 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 122.03 0.919 . . . . 0.0 111.926 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.0 pt20 -111.59 144.17 30.04 Favored Pre-proline 0 C--N 1.315 -0.915 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.122 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.49 117.02 4.54 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 121.963 1.776 . . . . 0.0 111.162 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t 179.29 161.1 0.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.7 126.42 7.54 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.933 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.0 m 64.61 -150.86 0.28 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.42 0.288 . . . . 0.0 110.942 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.9 mt 75.34 -78.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 123.289 0.635 . . . . 0.0 110.597 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.848 HD12 HD13 ' A' ' 37' ' ' ILE . 24.6 pt -91.72 24.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.036 0.446 . . . . 0.0 111.13 -175.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.459 -0.782 . . . . 0.0 110.246 178.219 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.64 0.257 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -59.57 -48.07 83.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 110.831 -176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 10.6 p-10 -91.72 8.98 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.306 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -80.26 -37.65 32.49 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 165.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -61.65 -40.78 96.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.208 168.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.458 ' HG ' ' CB ' ' A' ' 33' ' ' CYS . 49.3 t -61.07 -43.9 98.19 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.248 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.82 -55.03 40.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.961 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 10.2 tmtt? -60.28 -46.37 90.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.707 -179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD21 HH11 ' A' ' 35' ' ' ARG . 52.3 tp -73.04 -7.28 50.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.632 -177.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 66.32 36.03 5.53 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.066 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.42 146.69 21.04 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -100.64 131.44 46.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.654 0.264 . . . . 0.0 111.28 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.61 106.38 15.28 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -132.73 175.43 9.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.94 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -74.4 -61.41 1.88 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.434 HD22 ' C ' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -118.25 152.9 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.655 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 26.9 m -74.56 138.45 43.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -177.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.75 -159.13 34.86 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.052 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 129.24 40.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.98 0.419 . . . . 0.0 111.261 -177.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.15 49.68 19.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.364 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.0 mt-10 -127.13 156.66 41.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.95 0.405 . . . . 0.0 111.282 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.2 pt-20 -137.53 162.54 33.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.617 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -83.0 134.32 35.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.534 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -124.27 -32.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.907 -171.306 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.534 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -168.17 173.44 7.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 -174.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.61 142.24 47.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.2 m -120.14 172.18 7.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.465 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -72.95 171.54 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.607 ' HB2' HD23 ' A' ' 31' ' ' LEU . 31.2 mtmm 67.47 15.12 9.8 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.395 0.435 . . . . 0.0 110.167 -177.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p 58.66 34.59 23.93 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.62 1.168 . . . . 0.0 112.196 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.7 mm? -84.28 140.38 31.68 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.087 0.47 . . . . 0.0 111.132 172.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB3' HD21 ' A' ' 23' ' ' LEU . 4.6 mptp? -103.26 127.39 50.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.884 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.458 ' CB ' ' HG ' ' A' ' 6' ' ' CYS . 90.8 m -75.27 108.5 8.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 49.3 m -112.51 125.82 54.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.031 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.489 HH11 HD21 ' A' ' 9' ' ' LEU . 16.7 ptt180 -102.62 136.46 42.4 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -85.91 118.49 25.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.074 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.658 HG23 HG23 ' A' ' 44' ' ' ILE . 34.0 mm -70.74 126.43 30.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.984 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 16.2 pt20 -91.17 147.91 36.67 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.571 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 12.0 Cg_exo -70.74 127.08 13.34 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.695 2.264 . . . . 0.0 112.01 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -165.5 -167.57 1.16 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.22 117.17 9.76 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.709 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p 39.14 80.8 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.351 0.596 . . . . 0.0 112.308 -170.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.444 ' HB ' HD13 ' A' ' 44' ' ' ILE . 1.6 pt 33.37 -97.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 113.563 -1.653 . . . . 0.0 113.899 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.658 HG23 HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -130.82 20.67 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 O-C-N 122.181 -0.324 . . . . 0.0 111.818 -177.19 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 117.83 -1.081 . . . . 0.0 110.412 178.693 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 97.6 m-85 -64.63 -22.28 66.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.085 0.469 . . . . 0.0 110.591 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 10.7 p-10 -90.16 -1.3 57.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.959 0.409 . . . . 0.0 111.663 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -78.38 -34.79 47.97 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 165.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 25.4 tptp -66.3 -33.42 75.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.123 -1.398 . . . . 0.0 109.435 169.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.875 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 19.1 t -56.65 -45.57 81.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.393 175.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.36 -41.26 88.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.179 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -60.97 -38.51 86.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.355 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD21 ' NZ ' ' A' ' 5' ' ' LYS . 4.0 mm? -86.72 -5.87 59.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 68.17 30.46 5.73 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.636 0.585 . . . . 0.0 110.352 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.96 172.33 38.43 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 130.73 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.818 0.342 . . . . 0.0 111.402 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.601 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -86.17 100.91 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 176.634 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 175.02 6.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.697 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -34.26 58.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.792 0.806 . . . . 0.0 109.172 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -119.0 148.19 43.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.459 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 23.3 m -83.94 142.23 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.67 -159.74 35.89 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.763 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -58.65 126.54 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 -177.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 57.49 27.83 14.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.808 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 83.7 mt-10 -100.53 139.34 36.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.257 0.551 . . . . 0.0 112.016 -176.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.81 164.61 13.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.453 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.766 HD11 ' HB3' ' A' ' 32' ' ' LYS . 5.1 tp -85.88 116.89 24.4 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.55 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -108.21 -26.85 3.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -171.603 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -169.61 167.57 9.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.266 0.555 . . . . 0.0 111.305 -177.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.76 124.2 50.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.514 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 13' ' ' CYS . 76.5 m -99.28 -179.85 4.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.553 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.21 168.12 12.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' HD23 ' A' ' 31' ' ' LEU . 2.5 mppt? 59.54 14.53 3.96 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.882 -173.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 68.62 30.22 5.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.704 0.801 . . . . 0.0 111.086 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.3 mm? -75.25 159.93 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.449 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.766 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.4 mtmt -112.46 120.99 43.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.875 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 45.5 t -81.09 115.51 20.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 10.5 m -117.45 138.97 51.5 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.093 -177.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 11.0 ptt180 -117.15 133.81 55.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.593 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 m -81.24 96.54 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.898 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.17 123.0 25.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.032 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 74.3 mt-30 -95.9 146.93 32.18 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.72 177.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 35.0 Cg_exo -61.57 141.92 93.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.747 2.298 . . . . 0.0 111.939 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t 70.53 165.21 0.28 Allowed 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.692 0.62 . . . . 0.0 110.335 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 42' ' ' SER . . . -89.42 116.92 4.82 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.123 -1.037 . . . . 0.0 112.256 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 38.8 t 167.63 143.93 0.02 OUTLIER 'General case' 0 C--O 1.236 0.388 0 C-N-CA 123.864 0.866 . . . . 0.0 108.89 178.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.7 mt 70.69 -57.14 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 124.034 0.834 . . . . 0.0 111.299 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.8 tt -140.2 137.24 37.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.034 176.583 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.0 t80 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 111.124 0.046 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -51.65 -60.26 3.35 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.289 0.368 . . . . 0.0 111.9 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.567 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 6.3 p-10 -89.63 1.17 56.35 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.926 -0.71 . . . . 0.0 112.289 -175.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 11.1 tp10 -69.77 -45.01 69.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 168.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -67.97 -35.9 79.14 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.993 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 38.3 t -57.15 -48.79 77.81 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.139 0.495 . . . . 0.0 110.037 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -59.85 -50.41 73.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.801 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 34.9 mmtp -62.41 -44.09 97.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.063 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.83 1.03 32.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.928 -173.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 71.41 43.96 0.57 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.435 171.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.96 170.03 16.93 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -129.64 135.34 48.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.972 0.386 . . . . 0.0 110.853 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 m -81.34 111.83 18.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.972 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -134.17 175.06 9.83 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.34 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -81.95 -54.49 5.28 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.833 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -114.9 142.2 46.9 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 57.8 m -75.37 132.97 41.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.058 0.456 . . . . 0.0 110.74 -177.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -156.6 32.56 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 17.0 ptmt -41.48 109.56 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.449 0.7 . . . . 0.0 112.678 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 37' ' ' ILE . 2.4 t-20 43.99 57.63 4.07 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.169 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.639 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.2 mt-10 -109.66 143.21 39.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.069 176.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 24' ' ' ILE . 24.8 pt-20 -109.06 146.84 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.12 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.707 HD11 ' CG ' ' A' ' 32' ' ' LYS . 7.9 tp -93.13 116.25 28.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.618 HG21 ' CD ' ' A' ' 35' ' ' ARG . 1.1 pp -114.85 -22.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.714 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -159.19 160.97 36.07 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.741 0.305 . . . . 0.0 110.316 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 32' ' ' LYS . 99.4 mt -116.31 120.16 38.02 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.712 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.1 m -101.53 178.95 4.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.127 -171.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -83.89 171.54 12.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.102 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm 66.47 15.7 10.19 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.561 0.538 . . . . 0.0 110.586 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.7 m 77.92 -1.57 2.58 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.035 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.57 156.36 39.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.707 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.37 157.0 44.48 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.571 172.002 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.503 ' HB3' HG13 ' A' ' 24' ' ' ILE . 34.6 t -81.28 111.87 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -169.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 58.7 m -107.0 128.33 54.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.184 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.618 ' CD ' HG21 ' A' ' 24' ' ' ILE . 55.1 mtp180 -108.14 123.95 49.51 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.639 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -78.65 112.62 15.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.26 0.552 . . . . 0.0 110.185 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.778 HD12 HG21 ' A' ' 44' ' ' ILE . 31.9 mm -65.54 132.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.592 -176.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -76.55 150.26 81.96 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.836 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.94 128.83 19.96 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.854 2.369 . . . . 0.0 111.905 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 m 72.25 123.33 0.04 OUTLIER 'General case' 0 C--O 1.236 0.345 0 O-C-N 124.054 0.847 . . . . 0.0 111.167 -175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.08 119.89 19.0 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.082 -0.963 . . . . 0.0 113.604 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 m -144.1 134.39 24.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.9 mt 73.42 -50.48 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 123.707 0.629 . . . . 0.0 111.802 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.778 HG21 HD12 ' A' ' 37' ' ' ILE . 5.1 pt -63.8 165.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.557 -176.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.859 178.096 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -54.31 -59.29 4.86 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 7.5 p-10 -89.91 -2.02 58.1 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.477 -178.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.82 -42.22 77.54 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 166.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -63.83 -38.31 90.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.393 171.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 47.1 t -59.68 -41.67 91.19 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.654 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -61.0 -42.59 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.289 0.566 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.73 -43.78 97.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.52 -3.93 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.269 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 65.01 37.92 6.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.019 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.8 152.28 22.94 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.639 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -108.56 149.81 28.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.664 0.268 . . . . 0.0 110.657 -176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.19 104.87 11.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.33 0.586 . . . . 0.0 110.159 174.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 19.2 ptpt -136.86 160.19 39.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.216 177.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -84.24 -44.79 13.54 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.635 0.731 . . . . 0.0 109.965 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 25.3 m-80 -110.09 126.78 54.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.177 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 8.4 m -70.5 137.04 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.11 -158.03 33.32 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.443 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.631 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -46.61 116.09 1.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.01 52.65 12.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.498 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 43.8 mt-10 -125.8 162.74 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.261 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -135.89 157.88 45.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.887 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -80.29 113.11 18.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -100.37 -37.48 5.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.764 -174.615 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.87 165.12 37.67 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.279 -175.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.9 mt -105.41 139.65 39.72 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.0 m -113.89 169.68 8.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.594 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 26.9 mm-40 -71.63 173.01 8.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.88 176.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER 50.8 27.18 2.94 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.203 1.002 . . . . 0.0 112.059 -177.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t 71.52 20.8 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.258 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.04 178.5 7.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.174 0.511 . . . . 0.0 110.858 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 152.9 38.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.885 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 96.1 m -88.65 118.92 28.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 66.8 m -117.32 129.87 56.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -112.59 137.06 51.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.549 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 63.6 m -79.3 123.53 27.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.217 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.5 HG23 HG21 ' A' ' 44' ' ' ILE . 42.2 mm -67.73 99.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.613 -176.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 26.1 pt20 -100.13 133.63 21.4 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.684 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 50.2 Cg_exo -54.68 117.38 3.92 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.542 2.161 . . . . 0.0 112.088 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.2 m -160.6 166.91 28.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.952 -176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.44 133.0 11.46 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.717 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 t 69.77 177.89 0.26 Allowed 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.227 0.611 . . . . 0.0 110.531 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.8 mm 71.76 -58.05 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 123.079 0.552 . . . . 0.0 111.037 -176.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.5 HG21 HG23 ' A' ' 37' ' ' ILE . 19.0 tt -154.42 151.99 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.214 -176.906 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.2 t80 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 111.308 0.114 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -58.08 -54.81 42.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.745 0.307 . . . . 0.0 111.505 -174.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.48 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 5.0 p-10 -92.69 0.55 57.44 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.914 -0.715 . . . . 0.0 111.56 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -71.78 -38.43 70.32 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 168.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -64.45 -44.41 91.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.165 -1.38 . . . . 0.0 109.53 170.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 3' ' ' ASP . 20.2 t -56.59 -47.08 80.35 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.719 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -59.71 -42.0 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.336 0.588 . . . . 0.0 110.705 178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -58.32 -43.17 88.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.952 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.98 -4.16 58.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.041 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 65.2 34.62 8.36 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.991 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.18 173.77 26.77 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.554 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -123.33 148.98 45.45 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.2 m -87.62 100.94 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -123.28 175.59 6.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -74.31 -46.58 40.11 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 122.052 0.929 . . . . 0.0 109.031 173.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -117.84 149.04 41.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.984 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.3 m -81.91 144.21 31.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.46 -159.46 34.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.899 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -66.33 129.91 41.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.639 0.257 . . . . 0.0 110.89 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.479 ' ND2' ' HB ' ' A' ' 37' ' ' ILE . 64.5 t30 54.13 57.81 5.58 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.078 176.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 80.3 mt-10 -134.22 148.96 50.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.419 -178.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.27 161.56 21.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.89 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.5 tp -85.85 109.37 18.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.543 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -98.11 -26.7 3.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.176 -170.257 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -166.14 162.81 17.89 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.115 0.483 . . . . 0.0 110.951 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.4 tm? -117.0 132.44 56.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.121 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.02 -176.21 2.84 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.491 -172.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.31 170.16 16.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.1 mtmm 65.65 11.64 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.418 0.448 . . . . 0.0 110.424 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 m 72.04 18.53 4.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.951 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -80.31 152.38 29.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.86 ' HB3' HD11 ' A' ' 23' ' ' LEU . 52.2 mttt -125.36 140.18 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 99.8 m -84.35 118.64 24.35 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 120.843 0.354 . . . . 0.0 110.487 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 14' ' ' LYS . 21.7 m -117.19 127.13 53.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB3' HG21 ' A' ' 24' ' ' ILE . 27.1 ptt180 -110.67 139.85 45.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -81.12 117.21 21.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.974 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.487 HG23 HG21 ' A' ' 44' ' ' ILE . 45.1 mm -60.98 137.19 23.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.971 -175.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -90.73 129.49 44.4 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 170.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.92 117.2 3.92 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.116 1.877 . . . . 0.0 111.962 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 t 177.69 165.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.28 140.04 15.97 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.962 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.5 m 61.04 -149.1 0.42 Allowed 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.2 mt 75.05 -55.15 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 123.148 0.579 . . . . 0.0 111.426 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.487 HG21 HG23 ' A' ' 37' ' ' ILE . 41.9 pt -89.14 168.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.168 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.333 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 111.306 0.113 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -53.18 -60.62 3.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.025 0.44 . . . . 0.0 111.111 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 6.2 p-10 -88.05 1.37 54.4 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.508 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.36 -40.49 74.02 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 168.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.32 -35.08 77.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.747 171.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 48.7 t -59.21 -47.14 86.44 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.131 0.491 . . . . 0.0 110.059 175.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -62.62 -43.52 98.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -56.68 -36.46 69.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.032 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 96.6 mt -91.74 3.39 55.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.546 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? 67.46 36.21 3.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.433 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.79 149.46 16.6 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.889 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -105.67 133.83 49.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.119 0.485 . . . . 0.0 111.397 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 m -79.43 123.61 27.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.197 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -145.36 170.57 16.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -80.76 -45.58 16.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.821 0.343 . . . . 0.0 110.605 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.69 136.28 54.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 33.4 m -70.6 141.01 51.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.025 0.441 . . . . 0.0 110.839 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.48 -159.36 34.84 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.391 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.71 123.49 14.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.959 0.409 . . . . 0.0 111.578 -177.661 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m120 53.14 46.6 26.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.962 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 20.1 mt-10 -110.27 159.55 17.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.179 0.514 . . . . 0.0 111.88 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.1 pt-20 -126.27 161.91 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.703 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.81 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -95.38 119.0 33.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.59 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -112.93 -22.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -171.298 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -173.24 168.13 4.73 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 121.521 0.677 . . . . 0.0 111.647 -176.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.5 mt -103.22 125.49 49.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.684 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 46.5 t -96.91 160.96 14.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.05 164.87 14.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB2' HD23 ' A' ' 31' ' ' LEU . 30.3 mtmm 69.0 9.36 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.409 0.443 . . . . 0.0 110.177 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m 73.07 16.85 4.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.725 0.81 . . . . 0.0 112.704 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.4 mm? -75.93 162.76 27.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 110.555 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.81 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.2 mppt? -115.96 132.39 56.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 86.3 m -77.26 113.06 14.62 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 32.2 m -118.41 131.95 56.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.59 ' CD ' HG21 ' A' ' 24' ' ' ILE . 73.4 mtp180 -113.23 131.94 55.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.584 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 23.6 m -77.8 111.73 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.419 177.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.499 HD12 HG21 ' A' ' 44' ' ' ILE . 44.9 mm -69.35 123.34 22.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.647 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -104.03 129.19 25.66 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.201 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.28 128.84 24.97 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.436 2.09 . . . . 0.0 110.838 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.7 t 74.14 4.59 4.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.412 0.625 . . . . 0.0 110.253 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.07 176.92 39.79 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.494 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -75.62 150.02 38.1 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.792 -0.24 . . . . 0.0 111.424 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mm 74.9 -64.54 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.431 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.499 HG21 HD12 ' A' ' 37' ' ' ILE . 12.6 tt -104.67 97.49 5.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.606 0.717 . . . . 0.0 109.736 178.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.19 -173.726 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 37.4 t . . . . . 0 CA--C 1.527 0.059 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.41 -40.43 86.63 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.2 -37.46 87.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.519 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.41 4.93 16.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 70.97 30.47 2.77 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.711 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.492 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -87.59 127.53 8.54 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.311 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -94.42 133.57 37.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.665 0.269 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 4.8 m -81.14 107.57 14.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 110.234 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -127.17 170.49 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.759 178.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -58.75 3.09 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.068 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 8.2 p30 -113.65 137.98 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.031 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -71.41 137.37 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.0 -157.03 30.88 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.892 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HE3' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -42.71 112.99 0.41 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.092 0.957 . . . . 0.0 112.72 -179.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.4 m120 58.28 17.25 4.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.215 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 44.7 mt-10 -95.07 138.8 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.8 pt-20 -122.61 155.77 35.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.504 HD11 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tt -82.04 117.03 21.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.561 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -114.03 -21.51 5.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -174.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.1 20.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.087 0.47 . . . . 0.0 111.033 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -99.11 118.09 35.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.617 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -97.26 179.7 4.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.341 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -84.57 171.86 12.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' HB2' HD23 ' A' ' 31' ' ' LEU . 40.6 mtmt 64.3 15.11 9.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.7 m 74.28 13.63 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.501 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -79.82 152.74 29.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.691 0.281 . . . . 0.0 110.249 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HG2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -129.89 135.47 48.4 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -74.81 108.62 7.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.575 -179.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 39.3 m -109.78 128.04 55.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.029 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.561 ' CD ' HG21 ' A' ' 24' ' ' ILE . 78.0 mtp180 -96.54 131.85 42.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.319 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 9.5 m -79.58 89.39 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.682 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.3 mm . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.725 -173.789 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.496 ' HG ' ' CB ' ' A' ' 33' ' ' CYS . 32.0 t . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.781 0.324 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.87 -44.66 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.479 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.94 -43.2 91.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.232 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.49 -1.62 56.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.442 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 60.15 39.59 19.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.95 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.57 174.74 29.71 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.249 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -128.74 134.29 48.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.613 0.245 . . . . 0.0 110.737 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.45 108.54 13.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.859 0.361 . . . . 0.0 110.178 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -133.54 174.23 10.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.488 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -89.54 -53.27 4.61 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.893 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -111.04 130.16 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.416 . . . . 0.0 110.309 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.645 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 55.5 m -71.61 135.53 46.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.025 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.49 -158.17 33.34 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -53.47 111.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 112.849 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.06 52.82 11.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.03 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.6 mt-10 -119.76 143.25 47.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.509 177.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.612 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 10.1 pt-20 -118.96 155.27 31.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.309 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.624 ' HG ' ' HD2' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -91.49 107.89 19.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.624 HG21 ' HG3' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -108.76 -20.84 5.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.701 -166.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -158.55 164.3 36.23 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' HE3' ' A' ' 32' ' ' LYS . 2.5 tm? -115.08 133.37 56.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.58 0.705 . . . . 0.0 110.088 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.1 m -119.17 -179.71 3.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.764 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -75.04 169.44 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.7 mtmm 65.48 12.79 8.43 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -177.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m 74.45 12.34 3.92 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.9 mm? -74.12 154.33 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.536 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD2' ' HG ' ' A' ' 23' ' ' LEU . 9.5 mttp -131.03 153.05 49.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.548 ' HB2' HG13 ' A' ' 24' ' ' ILE . 69.5 m -80.84 118.64 22.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.645 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 99.1 m -102.76 129.46 49.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.044 174.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HG3' HG21 ' A' ' 24' ' ' ILE . 18.1 mtm180 -100.76 124.08 45.89 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.619 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.2 m -79.0 92.62 4.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.973 0.796 . . . . 0.0 109.951 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.2 mm . . . . . 0 N--CA 1.444 -0.73 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.741 -174.816 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 24' ' ' ILE . 8.2 t . . . . . 0 CA--C 1.528 0.108 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -61.04 -32.47 72.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.424 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.66 -37.84 79.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.188 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.45 12.6 3.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.478 0.656 . . . . 0.0 110.233 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.8 mmtp 72.56 29.21 2.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.549 169.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.62 84.82 0.5 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 p -71.28 145.53 49.48 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.205 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 3.2 m -81.09 99.24 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.177 0.513 . . . . 0.0 110.528 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' HA ' HD12 ' A' ' 31' ' ' LEU . 19.1 ptpt -133.91 163.01 30.48 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.82 174.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -81.47 -46.5 14.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.147 0.498 . . . . 0.0 110.781 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -116.83 142.21 47.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.367 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.6 m -77.78 132.62 38.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.565 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.93 -156.22 31.93 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.97 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.72 127.61 23.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.044 0.449 . . . . 0.0 111.412 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' HG12 ' A' ' 37' ' ' ILE . 3.6 m-20 56.51 28.61 14.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.019 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 47.6 mt-10 -113.56 142.51 45.87 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.899 -0.72 . . . . 0.0 112.098 -176.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.3 pt-20 -124.45 155.5 38.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.543 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.61 HD11 ' CB ' ' A' ' 32' ' ' LYS . 6.1 tp -88.37 114.83 25.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.594 HD11 ' SG ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -114.63 -20.33 6.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.749 -171.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -165.8 165.13 18.62 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 111.078 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.12 139.28 37.95 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.911 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.5 m -112.83 176.85 4.84 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -84.98 173.12 10.79 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt 66.19 13.69 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.511 0.507 . . . . 0.0 110.731 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 m 77.61 9.18 2.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.964 0.906 . . . . 0.0 112.239 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' LYS . 3.5 mm? -84.26 166.73 17.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 122.391 -0.193 . . . . 0.0 110.588 175.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.684 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.1 mptt -134.16 163.25 30.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 60.8 m -88.75 104.23 16.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.279 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 73.4 m -105.65 117.87 35.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.932 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 69.8 mtp180 -92.65 128.42 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.135 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.9 m -81.56 104.01 11.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 109.689 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 20' ' ' ASN . 43.7 mm . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.133 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 34.1 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.989 0.423 . . . . 0.0 110.218 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -60.88 -45.95 92.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.647 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -53.53 -44.96 69.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.669 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.78 -9.85 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.45 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 57.87 46.99 15.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.942 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 176.53 31.15 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.982 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -127.24 130.4 49.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.971 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -75.13 107.66 7.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.768 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -132.55 174.5 10.21 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.356 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -80.85 -51.63 8.39 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.122 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -118.53 137.73 53.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.586 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 35.5 m -69.07 141.18 54.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 -171.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.29 -159.75 28.31 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.27 118.99 7.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.305 0.574 . . . . 0.0 111.111 -177.174 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 57.91 53.22 7.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.257 177.362 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 86.9 mt-10 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -127.84 162.03 27.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.835 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.899 HD11 ' HB3' ' A' ' 32' ' ' LYS . 1.3 tp -83.41 111.87 19.42 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -98.61 -35.29 4.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.451 -175.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.54 158.53 34.15 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.074 0.464 . . . . 0.0 111.514 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.59 115.34 29.93 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.461 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 99.3 m -97.03 175.74 6.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.336 -172.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.66 171.08 13.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.073 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' HD23 ' A' ' 31' ' ' LEU . 44.7 mtmt 61.0 18.85 9.33 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.2 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 p 59.89 21.41 10.38 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.134 1.373 . . . . 0.0 112.618 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.5 mm? -75.12 159.17 31.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.09 0.472 . . . . 0.0 110.74 173.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.899 ' HB3' HD11 ' A' ' 23' ' ' LEU . 12.8 mptt -115.45 134.98 54.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.132 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.598 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 42.3 t -81.09 114.53 20.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.586 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 35.7 m -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.099 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -106.37 132.6 52.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.325 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.533 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -77.61 123.17 26.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.8 mm . . . . . 0 C--N 1.321 -0.663 0 CA-C-O 121.48 0.657 . . . . 0.0 111.597 -173.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.442 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 36.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.268 0.556 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -58.89 -44.4 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.648 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -60.23 -38.33 83.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.126 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.43 -0.59 57.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 61.06 38.88 16.85 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.866 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.76 165.28 25.67 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -117.04 147.96 41.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.009 0.404 . . . . 0.0 110.472 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 8.7 m -87.92 105.97 17.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -129.68 175.49 8.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.388 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -74.64 -69.51 0.46 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.748 0.785 . . . . 0.0 110.56 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -112.61 144.73 41.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.613 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 31.1 m -71.41 135.23 47.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.421 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.79 -158.62 34.19 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.59 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.95 129.83 41.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.909 0.385 . . . . 0.0 111.294 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 36' ' ' THR . 17.0 m120 53.01 55.17 9.3 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.557 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 41.8 mt-10 -136.28 152.62 50.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.03 0.443 . . . . 0.0 111.261 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -131.03 164.9 24.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.949 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.61 HD11 ' CB ' ' A' ' 32' ' ' LYS . 3.9 tp -89.44 109.63 20.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.238 0.542 . . . . 0.0 109.635 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -98.09 -33.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.288 -170.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.16 165.12 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.16 0.505 . . . . 0.0 111.265 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.94 124.5 52.52 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.175 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.438 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 31.8 m -111.24 165.89 11.55 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.052 0.453 . . . . 0.0 111.26 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 78.3 mt-30 -71.87 172.17 10.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.859 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.04 9.74 7.15 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.396 -172.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.7 m 76.01 0.72 3.36 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.2 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.65 149.89 48.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.61 ' CB ' HD11 ' A' ' 23' ' ' LEU . 2.1 mptp? -120.39 152.67 37.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.442 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 94.7 m -86.83 120.59 28.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.423 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 82.1 m -114.35 132.8 56.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.9 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -114.69 134.74 54.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.987 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.443 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 15.6 m -80.74 120.12 24.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.627 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mm . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.37 -177.209 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -62.58 -49.89 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.869 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -53.48 -45.63 69.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.8 mt -82.11 -11.5 58.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 43.2 mmtm 62.68 42.39 8.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.904 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.4 177.24 29.57 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -131.09 154.31 48.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.356 0.598 . . . . 0.0 111.162 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.562 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.8 m -89.35 110.38 21.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.174 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -127.6 166.94 17.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.901 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -76.58 -50.9 12.7 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -119.63 135.65 54.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.767 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 33.9 m -69.83 134.89 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.993 0.425 . . . . 0.0 110.488 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.22 -158.8 33.04 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.316 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.71 133.12 55.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 111.141 -178.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 51.53 52.26 15.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.332 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.7 mt-10 -132.55 161.62 33.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.179 0.514 . . . . 0.0 111.288 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -143.39 159.16 42.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.223 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.17 119.17 22.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -108.49 -34.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -175.359 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.07 166.18 34.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.718 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.4 mt -109.4 154.58 22.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.1 m -146.49 175.63 10.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.62 171.87 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.746 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HB2' HD23 ' A' ' 31' ' ' LEU . 48.0 mtmt 65.04 10.67 6.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.258 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t 71.22 22.13 4.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.603 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.5 mm? -82.51 145.73 29.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 174.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -124.57 140.18 53.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 83.9 m -73.17 113.24 10.01 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.503 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 60.1 m -112.79 130.52 56.05 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.829 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 28.1 ptt180 -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.729 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m -87.48 117.81 26.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.648 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.5 mm . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.226 -173.641 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 42.7 t . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 121.196 0.522 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -56.72 13.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.317 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.2 -35.21 77.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.046 -175.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.6 tp -84.07 -7.82 59.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.533 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 67.79 33.56 4.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.986 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.74 157.25 50.35 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.429 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -126.2 142.86 51.36 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 122.685 -0.303 . . . . 0.0 110.23 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -84.05 103.08 12.99 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -132.91 165.65 24.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.564 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -83.53 -43.5 15.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 110.711 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -118.94 134.77 54.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.99 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 24.8 m -71.29 141.2 50.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.326 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.56 -158.13 34.14 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.079 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.596 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.01 125.23 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 111.62 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.2 41.62 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.63 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 71.6 mt-10 -122.44 164.18 18.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.479 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 pt-20 -150.08 161.25 42.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.46 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.18 121.93 23.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.133 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -111.56 -34.52 2.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.91 0.386 . . . . 0.0 110.789 -176.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.32 162.81 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.344 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.6 mt -102.17 137.44 40.44 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 172.96 6.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.653 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -68.81 171.43 7.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HB2' HD23 ' A' ' 31' ' ' LEU . 50.8 mtmt 61.3 15.28 6.34 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.651 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p 58.68 29.36 18.48 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.878 1.271 . . . . 0.0 112.065 -174.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.8 mm? -80.55 167.1 20.5 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.05 139.6 51.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 50.7 t -79.2 115.14 18.67 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 85.0 m -110.21 136.42 49.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.278 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 31.2 ptt180 -110.12 138.6 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.572 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -82.71 113.62 20.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.836 175.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 23.1 mm . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.498 -174.731 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.236 0.35 0 CA-C-O 121.202 0.525 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -58.17 -51.1 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.005 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -70.53 -23.36 62.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.915 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -88.17 -6.09 58.05 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.036 0.446 . . . . 0.0 110.792 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.65 41.38 1.66 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.063 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.8 169.41 12.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -129.51 130.32 45.66 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 117.184 0.492 . . . . 0.0 111.457 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 12.2 m -84.16 98.87 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.708 ' HE3' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -119.76 176.92 5.16 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.777 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.95 -54.88 5.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.63 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 7.5 p30 -122.42 139.08 54.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.203 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 m -71.45 131.28 43.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.941 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -158.5 34.61 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.425 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.72 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -49.08 120.84 4.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.297 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 51.4 46.98 25.68 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.774 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 50.9 mt-10 -120.16 137.19 54.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.008 0.433 . . . . 0.0 111.726 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 8.9 pt-20 -122.79 151.31 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.526 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.38 127.43 32.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.478 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -120.93 -25.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -175.119 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -158.56 160.69 36.9 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 120.857 0.361 . . . . 0.0 110.598 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -109.83 140.07 44.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.031 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.71 -176.3 3.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -90.83 172.66 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.55 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HE2' HD12 ' A' ' 31' ' ' LEU . 33.7 mtmm 64.93 36.96 7.29 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.548 0.53 . . . . 0.0 111.016 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 p 52.87 29.54 7.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.263 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 79.2 mt -107.15 150.14 26.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.755 177.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HD2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -147.48 151.41 36.35 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.251 173.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -78.53 122.92 26.5 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.067 -171.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 94.8 m -125.91 136.77 53.43 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.447 170.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.478 ' CD ' HG21 ' A' ' 24' ' ' ILE . 70.2 mtp180 -105.89 136.47 45.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.325 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.3 m -76.93 103.45 6.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.799 0.687 . . . . 0.0 109.881 176.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.097 -175.233 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 53.2 t . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.99 -42.58 99.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.563 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -58.57 -41.71 86.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.856 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.29 -12.12 59.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.94 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttm 66.48 36.27 5.15 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.926 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.11 174.81 25.56 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.007 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -122.07 154.58 37.14 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.338 0.59 . . . . 0.0 110.861 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 16.1 m -94.51 101.19 13.08 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.803 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -131.05 170.48 14.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.474 177.572 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -88.13 -53.06 4.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.173 0.511 . . . . 0.0 110.389 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 18.8 m-80 -102.28 127.92 49.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.684 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.1 m -70.71 124.0 23.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.916 0.389 . . . . 0.0 110.112 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.76 -158.41 24.62 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.027 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.646 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -54.36 126.25 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.733 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 54.04 51.13 15.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.867 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 42.7 mt-10 -131.28 143.34 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.701 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' HG22 ' A' ' 24' ' ' ILE . 14.6 pt-20 -123.7 158.42 31.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -85.42 118.22 24.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.65 HG21 ' CG ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -116.77 -13.61 10.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -171.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -171.34 161.54 6.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.226 0.536 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -106.26 132.55 52.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.608 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 76.1 m -113.28 168.74 9.48 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -68.8 170.83 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.296 176.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HB2' HD23 ' A' ' 31' ' ' LEU . 41.8 mtmt 68.23 9.86 7.48 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.28 0.363 . . . . 0.0 110.445 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 70.01 19.08 7.0 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.953 -174.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.7 mm? -82.07 -175.06 5.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.887 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.72 ' HB3' HD11 ' A' ' 23' ' ' LEU . 29.1 mttt -150.22 152.84 35.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.82 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 22.6 t -92.39 115.17 27.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -111.93 128.88 56.28 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.084 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.65 ' CG ' HG21 ' A' ' 24' ' ' ILE . 26.3 mtm180 -101.71 127.41 48.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.448 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 6.3 m -77.04 110.84 12.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.426 HD11 ' HG2' ' A' ' 22' ' ' GLU . 34.8 mm . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.568 -175.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.457 ' CB ' ' HG ' ' A' ' 33' ' ' CYS . 32.5 t . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.169 0.509 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.37 -39.36 89.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.486 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -57.72 -39.64 77.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.345 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.42 ' HG ' ' HD2' ' A' ' 35' ' ' ARG . 3.7 mm? -90.6 -5.34 56.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.147 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 63.06 28.38 16.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.107 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 -169.01 32.56 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 t -150.07 154.89 38.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 15.7 m -78.11 103.14 7.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.266 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -129.95 170.61 13.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.046 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -85.88 -53.47 5.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.133 0.492 . . . . 0.0 110.535 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -105.59 132.9 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.281 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.9 m -70.88 133.91 46.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.376 . . . . 0.0 110.129 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.35 -158.42 34.23 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.63 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.761 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -52.61 125.08 15.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.127 0.489 . . . . 0.0 111.943 179.059 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 60.32 19.16 8.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.877 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 43.2 mt-10 -107.87 138.61 43.81 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.963 0.411 . . . . 0.0 111.347 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -129.41 160.67 32.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.506 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.632 HD11 ' CB ' ' A' ' 32' ' ' LYS . 6.0 tp -76.34 122.22 24.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.167 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.623 HG21 ' HD3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -112.98 -28.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.459 -174.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.573 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.52 158.03 33.21 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.366 0.603 . . . . 0.0 111.556 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.05 112.17 24.37 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.843 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.5 m -97.01 166.75 11.45 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.779 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 14.2 mm100 -79.55 171.3 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.906 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.78 11.34 8.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.651 0.594 . . . . 0.0 110.119 -173.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.0 m 76.16 7.21 3.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.256 1.023 . . . . 0.0 112.31 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.11 168.13 20.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.469 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HD11 ' A' ' 23' ' ' LEU . 11.7 mptt -132.47 158.21 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.457 ' HG ' ' CB ' ' A' ' 6' ' ' CYS . 46.9 t -92.41 115.91 28.51 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 61.1 m -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.623 ' HD3' HG21 ' A' ' 24' ' ' ILE . 18.1 ptt-85 -116.49 142.37 46.95 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.284 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -82.6 112.97 19.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.484 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.16 177.453 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.464 ' HA ' ' SG ' ' A' ' 33' ' ' CYS . 5.9 t . . . . . 0 C--O 1.236 0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -58.13 -41.29 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.392 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -67.27 -27.25 67.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.582 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.8 mm? -97.8 -4.74 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.556 0.217 . . . . 0.0 111.054 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.83 27.26 12.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.051 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.82 179.35 32.77 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.653 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -125.58 148.88 48.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.2 m -86.03 100.37 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -124.15 172.87 8.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.048 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 41.4 m-80 -88.31 -52.83 5.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.876 0.37 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.17 129.23 56.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 7.1 m -74.4 147.77 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.424 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.88 -157.49 18.4 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.425 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.8 130.3 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.099 0.476 . . . . 0.0 112.143 -178.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 58.66 28.6 17.41 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.554 172.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -110.23 152.61 25.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.221 0.534 . . . . 0.0 111.539 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 37' ' ' ILE . 13.9 pt-20 -127.95 156.26 42.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.52 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.706 HD11 ' CG ' ' A' ' 32' ' ' LYS . 9.4 tp -92.11 118.04 30.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.64 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -114.81 -20.86 5.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.827 -168.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.63 155.92 20.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.636 0.255 . . . . 0.0 110.363 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.43 119.98 41.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.984 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 88.9 m -97.53 -175.83 3.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.781 -175.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -90.22 173.27 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.186 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 67.29 15.55 9.98 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.047 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t 80.97 -4.2 1.74 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.441 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' CYS . 3.7 mm? -74.96 153.26 38.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 174.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.706 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.69 160.31 41.41 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 120.965 0.412 . . . . 0.0 110.966 171.01 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 23.2 t -82.52 119.38 24.15 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.422 -168.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 32.7 m -117.02 130.56 56.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.391 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.64 ' CD ' HG21 ' A' ' 24' ' ' ILE . 1.8 ptm180 -117.15 136.17 53.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.313 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 m -79.96 109.99 14.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.328 0.585 . . . . 0.0 109.802 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.48 HD11 ' HG2' ' A' ' 22' ' ' GLU . 35.4 mm . . . . . 0 C--N 1.315 -0.914 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.562 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.7 t . . . . . 0 C--O 1.233 0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -59.24 -50.89 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.815 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -58.19 -44.29 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.182 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.85 -0.59 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 66.19 40.62 3.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.627 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.04 169.34 13.06 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -116.69 147.78 41.66 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 4.4 m -88.58 106.5 18.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -118.9 174.86 6.05 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.278 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.13 -23.41 28.45 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.467 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -145.73 148.42 32.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.602 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 23' ' ' LEU . 46.4 m -86.74 131.19 34.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.64 -158.18 31.42 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.363 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 120.64 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.398 0.618 . . . . 0.0 111.868 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 56.95 32.08 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.892 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 49.1 mt-10 -108.39 156.23 19.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.628 0.251 . . . . 0.0 110.462 176.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -137.7 159.15 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.473 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 32' ' ' LYS . 5.0 tp -84.45 118.22 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.533 HG13 ' HB3' ' A' ' 33' ' ' CYS . 1.2 pp -113.52 -20.38 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.59 -172.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.86 158.97 13.14 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD12 ' HG3' ' A' ' 32' ' ' LYS . 47.8 tp -106.01 136.89 44.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.455 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.6 m -115.61 175.03 5.71 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.466 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -74.4 172.22 12.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HB2' HD23 ' A' ' 31' ' ' LEU . 36.7 mtmm 64.12 10.65 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.736 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 t 76.48 7.43 3.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.752 0.821 . . . . 0.0 111.594 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -73.4 162.87 28.82 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.514 0.197 . . . . 0.0 110.629 175.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HB2' HD11 ' A' ' 23' ' ' LEU . 7.5 mptt -137.1 155.18 49.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.763 0.316 . . . . 0.0 110.506 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.562 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 49.5 t -83.59 116.56 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.558 -177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.66 121.41 44.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.581 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' CD ' HG21 ' A' ' 24' ' ' ILE . 65.5 mtp180 -106.9 130.65 54.54 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.572 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -82.17 112.74 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.377 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 mm . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.268 -176.816 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.102 0.477 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.824 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -64.17 -33.03 74.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -89.77 -1.74 58.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.576 0.227 . . . . 0.0 111.243 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 66.41 32.13 7.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.205 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.26 -169.71 23.95 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.651 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 m -147.87 150.36 33.98 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.3 m -89.58 109.69 20.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -130.19 175.51 8.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.8 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.65 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 22.2 t-20 -70.36 -64.92 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.528 0.68 . . . . 0.0 110.488 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -123.48 144.45 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.331 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -71.32 144.15 50.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -177.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.43 -159.04 33.68 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.24 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.16 131.4 49.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.893 0.377 . . . . 0.0 111.984 -177.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 40.45 60.53 1.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.802 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 23.1 mt-10 -120.18 154.29 35.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.839 173.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -122.86 155.1 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -91.7 137.25 32.52 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.603 0.716 . . . . 0.0 109.692 176.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -130.93 -30.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.181 -170.022 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -161.74 155.38 21.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 32' ' ' LYS . 81.9 mt -107.78 133.35 52.3 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.114 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.6 m -113.79 178.12 4.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 -174.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -90.86 174.88 7.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.87 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 70.1 25.05 4.81 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.712 0.633 . . . . 0.0 111.182 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.3 t 68.5 21.33 8.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.52 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 94.6 mt -106.89 155.06 20.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.24 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.666 ' CG ' HD21 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -144.68 154.9 43.25 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.368 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.5 t -75.59 108.92 8.74 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.868 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' HE3' ' A' ' 32' ' ' LYS . 19.0 m -111.23 127.4 55.6 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.637 175.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.741 ' CD ' HG21 ' A' ' 24' ' ' ILE . 2.6 ptm180 -122.93 127.05 48.39 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.299 0.571 . . . . 0.0 110.537 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.598 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -72.25 134.5 45.63 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.243 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.987 175.223 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 36.4 t . . . . . 0 C--O 1.236 0.356 0 CA-C-O 120.994 0.426 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -64.66 -35.79 82.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.863 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -32.99 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.07 -5.25 59.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt 65.32 35.93 7.26 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.741 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.35 176.83 17.68 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.763 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -125.9 150.58 47.83 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.426 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 m -83.81 102.02 12.03 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -123.86 166.16 16.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.918 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.35 -48.66 32.41 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.706 0.288 . . . . 0.0 111.043 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.14 142.2 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.5 m -70.14 142.06 52.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.206 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.09 -158.99 34.06 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.826 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.594 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 2.6 pptp? -57.88 122.96 14.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 54.71 44.32 28.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.542 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 40.3 mt-10 -118.86 138.95 52.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -109.65 156.1 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.9 tp -82.35 116.25 21.76 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.546 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -104.62 -33.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.558 -170.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.546 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.52 172.78 14.94 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.935 0.398 . . . . 0.0 110.849 -174.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 49.5 tp -123.5 142.31 51.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.107 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -129.47 -177.35 4.22 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.489 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.53 170.86 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.039 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' HD23 ' A' ' 31' ' ' LEU . 48.6 mtmt 61.62 14.86 6.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.7 p 61.27 24.63 14.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.831 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 13' ' ' CYS . 2.0 mm? -79.04 152.5 30.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.643 ' HB3' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -126.66 145.18 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.093 0.473 . . . . 0.0 110.891 177.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 72.2 m -83.99 128.67 34.71 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.228 -175.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 57.9 m -121.41 135.34 55.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.129 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HD3' HG21 ' A' ' 24' ' ' ILE . 27.9 ptt180 -117.88 134.52 54.86 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.509 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.8 m -83.18 120.69 26.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.337 -177.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mm . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 122.03 0.919 . . . . 0.0 111.926 -178.77 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' HG ' ' CB ' ' A' ' 33' ' ' CYS . 49.3 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.927 0.394 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.82 -55.03 40.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.961 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 10.2 tmtt? -60.28 -46.37 90.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.707 -179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD21 HH11 ' A' ' 35' ' ' ARG . 52.3 tp -73.04 -7.28 50.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.632 -177.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 66.32 36.03 5.53 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.066 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.42 146.69 21.04 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -100.64 131.44 46.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.654 0.264 . . . . 0.0 111.28 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.61 106.38 15.28 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -132.73 175.43 9.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.94 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -74.4 -61.41 1.88 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.434 HD22 ' C ' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -118.25 152.9 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.655 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 26.9 m -74.56 138.45 43.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -177.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.75 -159.13 34.86 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.052 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 129.24 40.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.98 0.419 . . . . 0.0 111.261 -177.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.15 49.68 19.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.364 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.0 mt-10 -127.13 156.66 41.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.95 0.405 . . . . 0.0 111.282 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.2 pt-20 -137.53 162.54 33.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.617 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -83.0 134.32 35.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.534 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -124.27 -32.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.907 -171.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.534 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -168.17 173.44 7.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 -174.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.61 142.24 47.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.2 m -120.14 172.18 7.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.465 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -72.95 171.54 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.607 ' HB2' HD23 ' A' ' 31' ' ' LEU . 31.2 mtmm 67.47 15.12 9.8 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.395 0.435 . . . . 0.0 110.167 -177.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p 58.66 34.59 23.93 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.62 1.168 . . . . 0.0 112.196 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.7 mm? -84.28 140.38 31.68 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.087 0.47 . . . . 0.0 111.132 172.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB3' HD21 ' A' ' 23' ' ' LEU . 4.6 mptp? -103.26 127.39 50.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.884 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.458 ' CB ' ' HG ' ' A' ' 6' ' ' CYS . 90.8 m -75.27 108.5 8.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 49.3 m -112.51 125.82 54.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.031 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.489 HH11 HD21 ' A' ' 9' ' ' LEU . 16.7 ptt180 -102.62 136.46 42.4 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -85.91 118.49 25.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.074 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--N 1.318 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.984 -175.526 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.875 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 19.1 t . . . . . 0 C--O 1.235 0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.36 -41.26 88.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.179 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -60.97 -38.51 86.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.355 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.72 -5.87 59.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 68.17 30.46 5.73 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.636 0.585 . . . . 0.0 110.352 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.96 172.33 38.43 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 130.73 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.818 0.342 . . . . 0.0 111.402 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.601 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -86.17 100.91 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 176.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 175.02 6.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.697 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -34.26 58.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.792 0.806 . . . . 0.0 109.172 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -119.0 148.19 43.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.459 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 23.3 m -83.94 142.23 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.67 -159.74 35.89 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.763 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -58.65 126.54 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 -177.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 57.49 27.83 14.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.808 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 83.7 mt-10 -100.53 139.34 36.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.257 0.551 . . . . 0.0 112.016 -176.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.81 164.61 13.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.453 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.766 HD11 ' HB3' ' A' ' 32' ' ' LYS . 5.1 tp -85.88 116.89 24.4 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.55 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -108.21 -26.85 3.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -171.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.55 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -169.61 167.57 9.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.266 0.555 . . . . 0.0 111.305 -177.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.76 124.2 50.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.514 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 13' ' ' CYS . 76.5 m -99.28 -179.85 4.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.553 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.21 168.12 12.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' HD23 ' A' ' 31' ' ' LEU . 2.5 mppt? 59.54 14.53 3.96 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.882 -173.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 68.62 30.22 5.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.704 0.801 . . . . 0.0 111.086 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.3 mm? -75.25 159.93 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.449 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.766 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.4 mtmt -112.46 120.99 43.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.875 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 45.5 t -81.09 115.51 20.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 10.5 m -117.45 138.97 51.5 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.093 -177.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 11.0 ptt180 -117.15 133.81 55.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.593 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 m -81.24 96.54 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.898 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 C--N 1.32 -0.707 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.032 -178.606 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.239 0.513 0 CA-C-O 121.139 0.495 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -59.85 -50.41 73.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.801 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -62.41 -44.09 97.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.063 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.83 1.03 32.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.928 -173.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 71.41 43.96 0.57 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.435 171.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.96 170.03 16.93 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -129.64 135.34 48.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.972 0.386 . . . . 0.0 110.853 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 m -81.34 111.83 18.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.972 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -134.17 175.06 9.83 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.34 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -81.95 -54.49 5.28 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.833 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -114.9 142.2 46.9 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 57.8 m -75.37 132.97 41.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.058 0.456 . . . . 0.0 110.74 -177.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -156.6 32.56 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 17.0 ptmt -41.48 109.56 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.449 0.7 . . . . 0.0 112.678 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 37' ' ' ILE . 2.4 t-20 43.99 57.63 4.07 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.169 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.639 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.2 mt-10 -109.66 143.21 39.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.069 176.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 24' ' ' ILE . 24.8 pt-20 -109.06 146.84 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.12 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.707 HD11 ' CG ' ' A' ' 32' ' ' LYS . 7.9 tp -93.13 116.25 28.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.618 HG21 ' CD ' ' A' ' 35' ' ' ARG . 1.1 pp -114.85 -22.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.714 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -159.19 160.97 36.07 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.741 0.305 . . . . 0.0 110.316 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 32' ' ' LYS . 99.4 mt -116.31 120.16 38.02 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.712 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.1 m -101.53 178.95 4.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.127 -171.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -83.89 171.54 12.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.102 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm 66.47 15.7 10.19 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.561 0.538 . . . . 0.0 110.586 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.7 m 77.92 -1.57 2.58 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.035 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.57 156.36 39.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.707 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.37 157.0 44.48 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.571 172.002 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.503 ' HB3' HG13 ' A' ' 24' ' ' ILE . 34.6 t -81.28 111.87 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -169.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 58.7 m -107.0 128.33 54.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.184 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.618 ' CD ' HG21 ' A' ' 24' ' ' ILE . 55.1 mtp180 -108.14 123.95 49.51 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.639 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -78.65 112.62 15.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.26 0.552 . . . . 0.0 110.185 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 20' ' ' ASN . 31.9 mm . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.592 -176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 47.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.817 0.342 . . . . 0.0 110.654 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -61.0 -42.59 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.289 0.566 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.73 -43.78 97.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.52 -3.93 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.269 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 65.01 37.92 6.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.019 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.8 152.28 22.94 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.639 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -108.56 149.81 28.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.664 0.268 . . . . 0.0 110.657 -176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.19 104.87 11.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.33 0.586 . . . . 0.0 110.159 174.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 19.2 ptpt -136.86 160.19 39.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.216 177.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -84.24 -44.79 13.54 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.635 0.731 . . . . 0.0 109.965 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.481 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 25.3 m-80 -110.09 126.78 54.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.177 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 8.4 m -70.5 137.04 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.11 -158.03 33.32 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.443 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.631 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -46.61 116.09 1.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.01 52.65 12.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.498 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 43.8 mt-10 -125.8 162.74 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.261 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -135.89 157.88 45.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.887 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -80.29 113.11 18.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -100.37 -37.48 5.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.764 -174.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.87 165.12 37.67 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.279 -175.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.9 mt -105.41 139.65 39.72 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.0 m -113.89 169.68 8.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.594 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 26.9 mm-40 -71.63 173.01 8.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.88 176.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER 50.8 27.18 2.94 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.203 1.002 . . . . 0.0 112.059 -177.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t 71.52 20.8 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.258 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.04 178.5 7.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.174 0.511 . . . . 0.0 110.858 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 152.9 38.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.885 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 96.1 m -88.65 118.92 28.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 66.8 m -117.32 129.87 56.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -112.59 137.06 51.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.549 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 63.6 m -79.3 123.53 27.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.217 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.2 mm . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.613 -176.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.421 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 20.2 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.801 0.334 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -59.71 -42.0 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.336 0.588 . . . . 0.0 110.705 178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -58.32 -43.17 88.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.952 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.98 -4.16 58.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.041 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 65.2 34.62 8.36 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.991 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.18 173.77 26.77 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.554 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -123.33 148.98 45.45 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.2 m -87.62 100.94 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -123.28 175.59 6.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' HB3' ' ND2' ' A' ' 16' ' ' ASN . 17.5 t-20 -74.31 -46.58 40.11 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 122.052 0.929 . . . . 0.0 109.031 173.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 15' ' ' ASN . 19.7 m-80 -117.84 149.04 41.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.984 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.3 m -81.91 144.21 31.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.46 -159.46 34.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.899 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -66.33 129.91 41.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.639 0.257 . . . . 0.0 110.89 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 54.13 57.81 5.58 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.078 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 80.3 mt-10 -134.22 148.96 50.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.419 -178.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.27 161.56 21.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.89 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.5 tp -85.85 109.37 18.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.543 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -98.11 -26.7 3.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.176 -170.257 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -166.14 162.81 17.89 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.115 0.483 . . . . 0.0 110.951 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.4 tm? -117.0 132.44 56.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.121 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.02 -176.21 2.84 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.491 -172.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.31 170.16 16.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.1 mtmm 65.65 11.64 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.418 0.448 . . . . 0.0 110.424 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 m 72.04 18.53 4.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.951 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -80.31 152.38 29.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.86 ' HB3' HD11 ' A' ' 23' ' ' LEU . 52.2 mttt -125.36 140.18 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 99.8 m -84.35 118.64 24.35 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 120.843 0.354 . . . . 0.0 110.487 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 14' ' ' LYS . 21.7 m -117.19 127.13 53.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB3' HG21 ' A' ' 24' ' ' ILE . 27.1 ptt180 -110.67 139.85 45.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -81.12 117.21 21.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.974 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.1 mm . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.971 -175.222 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 48.7 t . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.131 0.491 . . . . 0.0 110.059 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -62.62 -43.52 98.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -56.68 -36.46 69.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.032 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 96.6 mt -91.74 3.39 55.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.546 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? 67.46 36.21 3.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.433 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.79 149.46 16.6 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.889 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -105.67 133.83 49.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.119 0.485 . . . . 0.0 111.397 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 m -79.43 123.61 27.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.197 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -145.36 170.57 16.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -80.76 -45.58 16.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.821 0.343 . . . . 0.0 110.605 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.69 136.28 54.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 33.4 m -70.6 141.01 51.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.025 0.441 . . . . 0.0 110.839 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.48 -159.36 34.84 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.391 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.71 123.49 14.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.959 0.409 . . . . 0.0 111.578 -177.661 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m120 53.14 46.6 26.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.962 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 20.1 mt-10 -110.27 159.55 17.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.179 0.514 . . . . 0.0 111.88 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.1 pt-20 -126.27 161.91 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.703 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.81 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -95.38 119.0 33.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.59 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -112.93 -22.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -171.298 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -173.24 168.13 4.73 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 121.521 0.677 . . . . 0.0 111.647 -176.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.5 mt -103.22 125.49 49.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.684 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 46.5 t -96.91 160.96 14.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.05 164.87 14.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB2' HD23 ' A' ' 31' ' ' LEU . 30.3 mtmm 69.0 9.36 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.409 0.443 . . . . 0.0 110.177 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m 73.07 16.85 4.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.725 0.81 . . . . 0.0 112.704 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.4 mm? -75.93 162.76 27.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 110.555 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.81 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.2 mppt? -115.96 132.39 56.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 86.3 m -77.26 113.06 14.62 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 32.2 m -118.41 131.95 56.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.59 ' CD ' HG21 ' A' ' 24' ' ' ILE . 73.4 mtp180 -113.23 131.94 55.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.584 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 23.6 m -77.8 111.73 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.419 177.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.647 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -57.1 -65.29 0.65 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.828 0.347 . . . . 0.0 111.613 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.554 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 8.4 p-10 -82.99 0.71 43.45 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.31 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -69.09 -39.74 78.85 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 tptp -70.77 -31.77 68.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.159 173.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 37.4 t -63.44 -37.4 87.12 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.334 -0.394 . . . . 0.0 109.945 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.41 -40.43 86.63 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -64.2 -37.46 87.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.519 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.41 4.93 16.48 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.72 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 70.97 30.47 2.77 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.711 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.492 ' HA3' ' SG ' ' A' ' 6' ' ' CYS . . . -87.59 127.53 8.54 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.747 -0.739 . . . . 0.0 111.311 175.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -94.42 133.57 37.87 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.665 0.269 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 4.8 m -81.14 107.57 14.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.147 0.499 . . . . 0.0 110.234 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -127.17 170.49 12.34 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.759 178.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 -58.75 3.09 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.068 -178.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.475 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 8.2 p30 -113.65 137.98 50.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.031 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.9 m -71.41 137.37 48.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.509 -176.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.0 -157.03 30.88 Favored Glycine 0 N--CA 1.445 -0.708 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.892 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HE3' ' H ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -42.71 112.99 0.41 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.092 0.957 . . . . 0.0 112.72 -179.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.4 m120 58.28 17.25 4.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.529 -0.76 . . . . 0.0 112.215 176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.562 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 44.7 mt-10 -95.07 138.8 32.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.8 pt-20 -122.61 155.77 35.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.738 178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.504 HD11 ' HG2' ' A' ' 32' ' ' LYS . 2.6 tt -82.04 117.03 21.92 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.561 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -114.03 -21.51 5.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.296 -174.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.43 149.1 20.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.087 0.47 . . . . 0.0 111.033 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.7 mt -99.11 118.09 35.06 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.617 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 55.8 m -97.26 179.7 4.81 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.341 -178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -84.57 171.86 12.11 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' HB2' HD23 ' A' ' 31' ' ' LEU . 40.6 mtmt 64.3 15.11 9.22 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.228 178.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.7 m 74.28 13.63 3.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.396 -0.82 . . . . 0.0 112.501 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -79.82 152.74 29.57 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 120.691 0.281 . . . . 0.0 110.249 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.504 ' HG2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -129.89 135.47 48.4 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 3' ' ' ASP . 0.1 OUTLIER -74.81 108.62 7.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.158 -0.617 . . . . 0.0 109.575 -179.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 39.3 m -109.78 128.04 55.04 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.029 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.561 ' CD ' HG21 ' A' ' 24' ' ' ILE . 78.0 mtp180 -96.54 131.85 42.74 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.319 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 9.5 m -79.58 89.39 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.536 0.684 . . . . 0.0 109.682 176.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.696 HG23 HG23 ' A' ' 44' ' ' ILE . 38.3 mm -71.73 144.04 13.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.725 -173.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 9.5 pt20 -82.36 128.53 66.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.412 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 4.9 Cg_exo -81.12 -172.68 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.163 2.575 . . . . 0.0 112.247 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.2 t 80.77 -47.18 0.27 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.883 0.873 . . . . 0.0 110.999 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -101.49 177.07 26.91 Favored Glycine 0 C--N 1.317 -0.497 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -71.67 77.76 0.83 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.03 0.443 . . . . 0.0 111.323 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.499 ' HB ' HD13 ' A' ' 44' ' ' ILE . 2.6 pt 38.48 -114.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 CA-C-N 114.366 -1.288 . . . . 0.0 113.092 175.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.696 HG23 HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -132.83 10.77 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 120.914 0.388 . . . . 0.0 110.773 179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.836 -0.602 . . . . 0.0 110.247 -175.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.413 0.149 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -55.19 -55.52 30.27 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -175.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 7.4 p-10 -88.12 2.2 52.59 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.974 -0.69 . . . . 0.0 111.644 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -72.58 -38.4 67.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 168.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -66.84 -41.53 87.25 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.199 -1.364 . . . . 0.0 109.242 171.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.496 ' HG ' ' CB ' ' A' ' 33' ' ' CYS . 32.0 t -58.01 -41.82 83.9 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.511 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -59.87 -44.66 94.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.479 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.94 -43.2 91.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.232 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -84.49 -1.62 56.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.442 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 60.15 39.59 19.26 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.95 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.57 174.74 29.71 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.249 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 p -128.74 134.29 48.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.613 0.245 . . . . 0.0 110.737 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -79.45 108.54 13.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.859 0.361 . . . . 0.0 110.178 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -133.54 174.23 10.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.488 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -89.54 -53.27 4.61 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.893 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -111.04 130.16 55.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.975 0.416 . . . . 0.0 110.309 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.645 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 55.5 m -71.61 135.53 46.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.025 -176.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.49 -158.17 33.34 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.124 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' H ' ' HG3' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -53.47 111.54 0.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.661 0.743 . . . . 0.0 112.849 -176.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.4 t30 55.06 52.82 11.13 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.801 -1.091 . . . . 0.0 111.03 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.6 mt-10 -119.76 143.25 47.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.509 177.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.612 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 10.1 pt-20 -118.96 155.27 31.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.309 -178.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.624 ' HG ' ' HD2' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -91.49 107.89 19.52 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.018 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.624 HG21 ' HG3' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -108.76 -20.84 5.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.701 -166.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -158.55 164.3 36.23 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.659 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.51 HD23 ' HE3' ' A' ' 32' ' ' LYS . 2.5 tm? -115.08 133.37 56.09 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.58 0.705 . . . . 0.0 110.088 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.1 m -119.17 -179.71 3.92 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.764 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -75.04 169.44 18.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.588 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.7 mtmm 65.48 12.79 8.43 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -177.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.1 m 74.45 12.34 3.92 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.716 -179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.9 mm? -74.12 154.33 39.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.536 176.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD2' ' HG ' ' A' ' 23' ' ' LEU . 9.5 mttp -131.03 153.05 49.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.548 ' HB2' HG13 ' A' ' 24' ' ' ILE . 69.5 m -80.84 118.64 22.53 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.645 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 99.1 m -102.76 129.46 49.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.044 174.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HG3' HG21 ' A' ' 24' ' ' ILE . 18.1 mtm180 -100.76 124.08 45.89 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.619 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.2 m -79.0 92.62 4.98 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 123.973 0.796 . . . . 0.0 109.951 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.555 HG23 HG12 ' A' ' 44' ' ' ILE . 30.2 mm -67.94 122.76 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.741 -174.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -85.78 135.79 37.51 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.254 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.83 121.97 10.08 Favored 'Trans proline' 0 C--O 1.237 0.427 0 C-N-CA 122.313 2.009 . . . . 0.0 111.097 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.3 t 72.84 2.57 4.42 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.791 0.682 . . . . 0.0 111.123 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.6 150.93 51.21 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.341 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 33.9 m -77.37 172.84 12.67 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 122.669 -0.312 . . . . 0.0 110.992 -178.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 42' ' ' SER . 67.6 mt 78.22 -15.09 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.664 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.555 HG12 HG23 ' A' ' 37' ' ' ILE . 2.0 tp -144.17 -51.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -173.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.512 -175.143 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.31 0.1 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -57.84 -60.18 4.1 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.115 0.483 . . . . 0.0 110.796 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.558 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 11.2 p-10 -83.11 -1.59 53.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.04 0.448 . . . . 0.0 111.568 -178.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.07 -41.74 77.15 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 169.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -73.27 -27.61 61.66 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.747 173.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.594 ' SG ' HD11 ' A' ' 24' ' ' ILE . 8.2 t -63.53 -42.06 98.46 Favored 'General case' 0 CA--C 1.528 0.108 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -61.04 -32.47 72.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.424 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -68.66 -37.84 79.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.188 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.45 12.6 3.56 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.478 0.656 . . . . 0.0 110.233 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.8 mmtp 72.56 29.21 2.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.579 -1.192 . . . . 0.0 111.549 169.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.62 84.82 0.5 Allowed Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 172.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.3 p -71.28 145.53 49.48 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.205 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.684 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 3.2 m -81.09 99.24 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.177 0.513 . . . . 0.0 110.528 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' HA ' HD12 ' A' ' 31' ' ' LEU . 19.1 ptpt -133.91 163.01 30.48 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.82 174.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -81.47 -46.5 14.47 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.147 0.498 . . . . 0.0 110.781 -174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -116.83 142.21 47.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.367 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.6 m -77.78 132.62 38.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.565 -178.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.93 -156.22 31.93 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.97 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.72 127.61 23.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.044 0.449 . . . . 0.0 111.412 -179.017 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.416 ' O ' HG12 ' A' ' 37' ' ' ILE . 3.6 m-20 56.51 28.61 14.05 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.019 177.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 47.6 mt-10 -113.56 142.51 45.87 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 119.899 -0.72 . . . . 0.0 112.098 -176.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 9.3 pt-20 -124.45 155.5 38.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.543 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD11 ' CB ' ' A' ' 32' ' ' LYS . 6.1 tp -88.37 114.83 25.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.594 HD11 ' SG ' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -114.63 -20.33 6.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.749 -171.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.479 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . . . -165.8 165.13 18.62 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.108 0.48 . . . . 0.0 111.078 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.12 139.28 37.95 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.911 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 87.5 m -112.83 176.85 4.84 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -84.98 173.12 10.79 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 172.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt 66.19 13.69 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.511 0.507 . . . . 0.0 110.731 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.7 m 77.61 9.18 2.5 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.964 0.906 . . . . 0.0 112.239 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 14' ' ' LYS . 3.5 mm? -84.26 166.73 17.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 122.391 -0.193 . . . . 0.0 110.588 175.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.684 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 11.1 mptt -134.16 163.25 30.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 60.8 m -88.75 104.23 16.7 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.279 177.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 73.4 m -105.65 117.87 35.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.932 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 69.8 mtp180 -92.65 128.42 38.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.135 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.9 m -81.56 104.01 11.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.41 0.624 . . . . 0.0 109.689 176.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.511 HD12 HG21 ' A' ' 44' ' ' ILE . 43.7 mm -70.79 108.84 2.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.066 -0.97 . . . . 0.0 111.133 -175.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -106.96 133.0 20.47 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.546 -177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.88 119.27 5.99 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.909 2.406 . . . . 0.0 112.013 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.6 p -172.33 171.56 4.72 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.123 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.21 135.89 13.91 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.66 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.6 m 69.04 -177.29 0.21 Allowed 'General case' 0 C--O 1.234 0.243 0 C-N-CA 122.903 0.481 . . . . 0.0 110.853 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 50.2 mm 73.77 -61.96 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 123.116 0.567 . . . . 0.0 110.727 -178.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 37' ' ' ILE . 13.5 tt -170.18 148.51 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.426 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.226 177.508 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.418 0.151 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -58.89 -51.85 68.25 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.105 0.479 . . . . 0.0 110.91 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.508 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 3.4 p30 -85.94 -1.05 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.564 -177.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -68.69 -41.68 78.83 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 168.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -68.68 -36.14 78.14 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.316 172.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.598 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 34.1 t -59.43 -40.99 88.53 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.218 177.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -60.88 -45.95 92.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.647 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -53.53 -44.96 69.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.669 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.78 -9.85 54.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.45 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mptt 57.87 46.99 15.93 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.942 -173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 176.53 31.15 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.982 -179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -127.24 130.4 49.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.812 0.339 . . . . 0.0 110.971 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -75.13 107.66 7.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.768 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -132.55 174.5 10.21 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.356 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -80.85 -51.63 8.39 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.122 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -118.53 137.73 53.02 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.586 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 35.5 m -69.07 141.18 54.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.087 0.47 . . . . 0.0 110.828 -171.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.29 -159.75 28.31 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.514 -0.766 . . . . 0.0 112.152 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.27 118.99 7.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.305 0.574 . . . . 0.0 111.111 -177.174 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER 57.91 53.22 7.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.257 177.362 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 86.9 mt-10 -124.86 153.16 43.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 177.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -127.84 162.03 27.65 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.835 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.899 HD11 ' HB3' ' A' ' 32' ' ' LYS . 1.3 tp -83.41 111.87 19.42 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -98.61 -35.29 4.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.451 -175.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.54 158.53 34.15 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.074 0.464 . . . . 0.0 111.514 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -100.59 115.34 29.93 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.461 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 33' ' ' CYS . 99.3 m -97.03 175.74 6.21 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.336 -172.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.66 171.08 13.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.073 177.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' HD23 ' A' ' 31' ' ' LEU . 44.7 mtmt 61.0 18.85 9.33 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.2 -176.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.2 p 59.89 21.41 10.38 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.134 1.373 . . . . 0.0 112.618 -176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.5 mm? -75.12 159.17 31.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.09 0.472 . . . . 0.0 110.74 173.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.899 ' HB3' HD11 ' A' ' 23' ' ' LEU . 12.8 mptt -115.45 134.98 54.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.132 178.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.598 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 42.3 t -81.09 114.53 20.0 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.586 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 35.7 m -114.75 124.3 51.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.099 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -106.37 132.6 52.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.325 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.533 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -77.61 123.17 26.28 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.716 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.466 HG21 HG21 ' A' ' 44' ' ' ILE . 29.8 mm -69.64 118.09 13.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.48 0.657 . . . . 0.0 111.597 -173.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -77.7 142.56 66.04 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.909 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.1 117.94 4.29 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.243 1.962 . . . . 0.0 110.828 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.0 m -122.86 164.99 17.39 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.776 -173.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.95 119.47 8.11 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.3 m 69.19 123.39 0.03 OUTLIER 'General case' 0 C--O 1.234 0.288 0 C-N-CA 123.189 0.595 . . . . 0.0 110.881 -173.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.42 HG22 HG22 ' A' ' 44' ' ' ILE . 33.4 mt 76.99 132.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.994 175.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.466 HG21 HG21 ' A' ' 37' ' ' ILE . 19.7 tt 44.15 97.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.187 1.395 . . . . 0.0 114.335 172.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.251 1.161 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.005 176.126 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.3 t80 . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.261 0.077 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -48.68 -55.16 12.13 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.56 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 8.0 p-10 -93.92 3.23 55.67 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.099 -0.64 . . . . 0.0 111.622 -177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -74.09 -38.62 63.83 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 168.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -73.0 -33.18 65.61 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.404 173.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.56 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 36.4 t -62.19 -45.34 93.82 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.268 0.556 . . . . 0.0 109.812 175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -58.89 -44.4 91.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.648 178.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -60.23 -38.33 83.07 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.126 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -89.43 -0.59 57.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.078 0.466 . . . . 0.0 111.138 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 61.06 38.88 16.85 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.866 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.76 165.28 25.67 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 m -117.04 147.96 41.9 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.009 0.404 . . . . 0.0 110.472 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 8.7 m -87.92 105.97 17.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -129.68 175.49 8.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.388 -177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -74.64 -69.51 0.46 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.748 0.785 . . . . 0.0 110.56 178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -112.61 144.73 41.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.613 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 31.1 m -71.41 135.23 47.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.421 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.79 -158.62 34.19 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.59 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.95 129.83 41.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.909 0.385 . . . . 0.0 111.294 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.438 ' O ' ' HA ' ' A' ' 36' ' ' THR . 17.0 m120 53.01 55.17 9.3 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.557 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 41.8 mt-10 -136.28 152.62 50.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.03 0.443 . . . . 0.0 111.261 177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -131.03 164.9 24.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.949 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD11 ' CB ' ' A' ' 32' ' ' LYS . 3.9 tp -89.44 109.63 20.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.238 0.542 . . . . 0.0 109.635 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -98.09 -33.53 4.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.288 -170.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.16 165.12 35.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.16 0.505 . . . . 0.0 111.265 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.1 mt -111.94 124.5 52.52 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.175 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' ' 3' ' ' ASP . 31.8 m -111.24 165.89 11.55 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.052 0.453 . . . . 0.0 111.26 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 78.3 mt-30 -71.87 172.17 10.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.859 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.04 9.74 7.15 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.396 -172.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.7 m 76.01 0.72 3.36 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.2 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.65 149.89 48.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.61 ' CB ' HD11 ' A' ' 23' ' ' LEU . 2.1 mptp? -120.39 152.67 37.58 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.442 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 94.7 m -86.83 120.59 28.28 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.423 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 82.1 m -114.35 132.8 56.07 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.9 177.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -114.69 134.74 54.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.987 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.443 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 15.6 m -80.74 120.12 24.23 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.453 0.644 . . . . 0.0 110.627 -178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mm -71.39 132.54 33.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.37 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -94.67 129.46 36.25 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.234 173.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 40' ' ' SER . 74.4 Cg_exo -50.04 132.38 32.72 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.804 2.336 . . . . 0.0 111.94 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 39' ' ' PRO . 35.9 t 74.77 -2.78 2.75 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.815 0.697 . . . . 0.0 110.931 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.45 137.63 27.85 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 121.161 -0.543 . . . . 0.0 111.989 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -96.95 -170.14 1.99 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.5 mt 76.44 -42.38 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 122.952 0.501 . . . . 0.0 111.936 175.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 pp -72.99 173.6 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.507 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.547 -176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.957 -0.544 . . . . 0.0 110.732 -178.685 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.501 0.191 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -55.56 -55.33 33.16 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 10.2 p-10 -90.93 8.4 35.31 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.912 -0.715 . . . . 0.0 111.669 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -78.32 -36.14 46.75 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 165.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -67.11 -39.54 86.7 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.449 -1.25 . . . . 0.0 109.151 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 21.5 t -61.32 -42.98 99.56 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.541 176.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -62.58 -49.89 73.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.869 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -53.48 -45.63 69.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 43' ' ' ILE . 81.8 mt -82.11 -11.5 58.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.994 0.426 . . . . 0.0 111.15 -178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 43.2 mmtm 62.68 42.39 8.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.904 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.4 177.24 29.57 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.586 -1.005 . . . . 0.0 110.586 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -131.09 154.31 48.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.356 0.598 . . . . 0.0 111.162 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.562 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.8 m -89.35 110.38 21.18 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.174 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -127.6 166.94 17.08 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.901 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -76.58 -50.9 12.7 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.814 0.34 . . . . 0.0 110.709 -177.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -119.63 135.65 54.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.767 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 33.9 m -69.83 134.89 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.993 0.425 . . . . 0.0 110.488 -177.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.22 -158.8 33.04 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.316 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -61.71 133.12 55.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.644 0.259 . . . . 0.0 111.141 -178.362 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.6 m120 51.53 52.26 15.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.332 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.7 mt-10 -132.55 161.62 33.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.179 0.514 . . . . 0.0 111.288 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -143.39 159.16 42.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.223 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 tt -80.17 119.17 22.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -108.49 -34.94 2.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -175.359 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.07 166.18 34.02 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 120.915 0.388 . . . . 0.0 110.718 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.4 mt -109.4 154.58 22.38 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.713 -177.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 62.1 m -146.49 175.63 10.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.62 171.87 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.746 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.635 ' HB2' HD23 ' A' ' 31' ' ' LEU . 48.0 mtmt 65.04 10.67 6.48 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.258 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 t 71.22 22.13 4.49 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.603 -177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.5 mm? -82.51 145.73 29.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 174.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -124.57 140.18 53.19 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.425 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 83.9 m -73.17 113.24 10.01 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.503 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 60.1 m -112.79 130.52 56.05 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.829 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HD3' ' CG2' ' A' ' 24' ' ' ILE . 28.1 ptt180 -105.43 135.46 46.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.729 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.502 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 5.5 m -87.48 117.81 26.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.648 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.54 HG23 HG21 ' A' ' 44' ' ' ILE . 31.5 mm -62.19 99.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.226 -173.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.607 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 98.6 mt-30 -81.54 176.22 4.05 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 114.362 -1.29 . . . . 0.0 108.195 170.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.607 ' HD2' ' HB3' ' A' ' 38' ' ' GLN . 21.2 Cg_exo -38.21 146.51 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.965 0 C-N-CA 122.547 2.165 . . . . 0.0 113.203 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.1 t -55.95 -20.77 17.53 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -168.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.61 118.84 4.96 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.723 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.9 m 72.37 165.15 0.29 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.37 0.668 . . . . 0.0 111.433 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.45 ' HA ' HD22 ' A' ' 9' ' ' LEU . 48.0 mm 68.89 -74.48 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.215 0.606 . . . . 0.0 111.465 -178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.54 HG21 HG23 ' A' ' 37' ' ' ILE . 4.2 tt -98.23 147.4 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.2 t70 . . . . . 0 C--O 1.248 1.003 0 O-C-N 123.602 0.564 . . . . 0.0 110.465 -177.339 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 55.8 t80 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.496 0.189 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -56.48 -40.72 75.37 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.884 0.328 . . . . 0.0 111.884 -176.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 5.3 p-10 -94.9 5.39 52.04 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.962 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -73.94 -39.86 63.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 164.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -63.57 -44.58 93.68 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 114.076 -1.42 . . . . 0.0 109.496 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 42.7 t -54.44 -42.25 70.35 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.196 0.522 . . . . 0.0 110.665 179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -63.72 -56.72 13.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.317 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -68.2 -35.21 77.63 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.046 -175.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.6 tp -84.07 -7.82 59.28 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.533 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttm 67.79 33.56 4.77 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.986 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.74 157.25 50.35 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.429 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -126.2 142.86 51.36 Favored 'General case' 0 C--N 1.319 -0.74 0 O-C-N 122.685 -0.303 . . . . 0.0 110.23 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.2 m -84.05 103.08 12.99 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -132.91 165.65 24.15 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.564 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -83.53 -43.5 15.66 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.986 0.422 . . . . 0.0 110.711 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -118.94 134.77 54.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.99 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.445 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 24.8 m -71.29 141.2 50.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.326 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.56 -158.13 34.14 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.079 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.01 125.23 19.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.9 0.381 . . . . 0.0 111.62 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.4 m120 55.2 41.62 31.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.63 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 71.6 mt-10 -122.44 164.18 18.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.479 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 pt-20 -150.08 161.25 42.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.46 176.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.18 121.93 23.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.133 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -111.56 -34.52 2.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.91 0.386 . . . . 0.0 110.789 -176.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -157.32 162.81 39.14 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.344 -176.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.6 mt -102.17 137.44 40.44 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 64.7 m -115.59 172.96 6.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.653 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.6 mp0 -68.81 171.43 7.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.47 ' HB2' HD23 ' A' ' 31' ' ' LEU . 50.8 mtmt 61.3 15.28 6.34 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.651 -175.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 92.6 p 58.68 29.36 18.48 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.878 1.271 . . . . 0.0 112.065 -174.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.8 mm? -80.55 167.1 20.5 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.05 139.6 51.96 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.577 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 50.7 t -79.2 115.14 18.67 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 85.0 m -110.21 136.42 49.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.278 178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.502 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 31.2 ptt180 -110.12 138.6 46.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.572 -178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.507 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -82.71 113.62 20.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.836 175.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.701 HG23 HG21 ' A' ' 44' ' ' ILE . 23.1 mm -65.66 105.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.384 -0.825 . . . . 0.0 112.498 -174.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 79.5 mt-30 -105.45 132.83 20.53 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.728 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 19.8 Cg_exo -65.61 122.6 10.29 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.78 2.32 . . . . 0.0 112.464 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.3 m -135.06 -145.27 0.22 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.03 122.65 30.93 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.7 m 60.51 -144.8 0.49 Allowed 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -170.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.458 HG13 ' H ' ' A' ' 44' ' ' ILE . 1.2 pt -79.86 -82.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.82 171.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.701 HG21 HG23 ' A' ' 37' ' ' ILE . 5.7 pt -147.98 -171.88 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.33 -174.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--O 1.247 0.943 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.776 176.182 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 111.316 0.117 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -58.84 -56.73 18.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.664 0.269 . . . . 0.0 111.555 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 10.2 p-10 -89.07 0.59 56.57 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.768 -175.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -67.4 -45.29 76.62 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 166.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -37.21 84.12 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.891 -1.049 . . . . 0.0 109.925 173.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 40.2 t -57.97 -49.11 77.92 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.202 0.525 . . . . 0.0 110.375 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -58.17 -51.1 71.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.005 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -70.53 -23.36 62.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.915 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.8 tp -88.17 -6.09 58.05 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-O 121.036 0.446 . . . . 0.0 110.792 177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.65 41.38 1.66 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.063 178.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.8 169.41 12.86 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 p -129.51 130.32 45.66 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 117.184 0.492 . . . . 0.0 111.457 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.52 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 12.2 m -84.16 98.87 10.16 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.708 ' HE3' ' C ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -119.76 176.92 5.16 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.777 -179.507 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.95 -54.88 5.38 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.63 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 7.5 p30 -122.42 139.08 54.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.203 -174.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 m -71.45 131.28 43.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.066 0.46 . . . . 0.0 110.941 -174.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -158.5 34.61 Favored Glycine 0 N--CA 1.443 -0.857 0 CA-C-N 115.441 -0.799 . . . . 0.0 112.425 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.72 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -49.08 120.84 4.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -179.297 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 51.4 46.98 25.68 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.774 175.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 50.9 mt-10 -120.16 137.19 54.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.008 0.433 . . . . 0.0 111.726 -176.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 8.9 pt-20 -122.79 151.31 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.526 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -77.38 127.43 32.55 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.478 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -120.93 -25.56 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.098 -175.119 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -158.56 160.69 36.9 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 120.857 0.361 . . . . 0.0 110.598 -178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.6 mt -109.83 140.07 44.17 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.031 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.71 -176.3 3.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.694 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -90.83 172.66 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.55 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HE2' HD12 ' A' ' 31' ' ' LEU . 33.7 mtmm 64.93 36.96 7.29 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.548 0.53 . . . . 0.0 111.016 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 p 52.87 29.54 7.86 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.263 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 79.2 mt -107.15 150.14 26.91 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.755 177.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HD2' ' O ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -147.48 151.41 36.35 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.251 173.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.2 t -78.53 122.92 26.5 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.067 -171.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 94.8 m -125.91 136.77 53.43 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.447 170.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.478 ' CD ' HG21 ' A' ' 24' ' ' ILE . 70.2 mtp180 -105.89 136.47 45.49 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.325 -175.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.3 m -76.93 103.45 6.88 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.799 0.687 . . . . 0.0 109.881 176.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.519 HD12 HG21 ' A' ' 44' ' ' ILE . 35.0 mm -79.22 112.54 17.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.097 -175.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -107.07 129.73 23.91 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.762 -178.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 40' ' ' SER . 34.2 Cg_exo -60.25 139.55 87.58 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.679 2.253 . . . . 0.0 111.336 177.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' PRO . 60.0 m 72.33 0.23 3.51 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.716 0.635 . . . . 0.0 111.449 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.17 175.33 42.65 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.127 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -76.13 150.81 37.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.773 0.32 . . . . 0.0 110.517 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.9 mt 71.7 -66.23 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.027 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.519 HG21 HD12 ' A' ' 37' ' ' ILE . 13.0 tt -122.13 138.38 52.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.938 0.399 . . . . 0.0 111.282 -174.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.213 -178.683 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 75.1 t80 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.199 0.047 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -50.98 -58.77 5.19 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.822 0.344 . . . . 0.0 111.629 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.469 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 8.5 p-10 -87.5 -2.09 58.38 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.631 -178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -70.74 -35.98 72.93 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 168.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -74.25 -32.75 63.07 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.369 173.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 53.2 t -57.65 -43.05 84.66 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.202 0.525 . . . . 0.0 110.013 175.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.99 -42.58 99.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.563 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -58.57 -41.71 86.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.856 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.29 -12.12 59.64 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.94 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttm 66.48 36.27 5.15 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.926 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -101.11 174.81 25.56 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.007 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.1 t -122.07 154.58 37.14 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.338 0.59 . . . . 0.0 110.861 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 16.1 m -94.51 101.19 13.08 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.803 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -131.05 170.48 14.44 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.474 177.572 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -88.13 -53.06 4.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.173 0.511 . . . . 0.0 110.389 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 18.8 m-80 -102.28 127.92 49.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.684 -178.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 56.1 m -70.71 124.0 23.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.916 0.389 . . . . 0.0 110.112 -179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.76 -158.41 24.62 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.027 -177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.646 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -54.36 126.25 22.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 -179.733 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 54.04 51.13 15.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.867 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 42.7 mt-10 -131.28 143.34 50.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 111.701 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' HG22 ' A' ' 24' ' ' ILE . 14.6 pt-20 -123.7 158.42 31.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.231 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.72 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -85.42 118.22 24.81 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.65 HG21 ' CG ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -116.77 -13.61 10.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.788 -171.705 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -171.34 161.54 6.5 Favored 'General case' 0 CA--C 1.507 -0.685 0 CA-C-O 121.226 0.536 . . . . 0.0 110.51 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.9 tm? -106.26 132.55 52.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.608 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 76.1 m -113.28 168.74 9.48 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -169.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -68.8 170.83 8.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.296 176.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.426 ' HB2' HD23 ' A' ' 31' ' ' LEU . 41.8 mtmt 68.23 9.86 7.48 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.28 0.363 . . . . 0.0 110.445 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 70.01 19.08 7.0 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.953 -174.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.7 mm? -82.07 -175.06 5.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.887 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.72 ' HB3' HD11 ' A' ' 23' ' ' LEU . 29.1 mttt -150.22 152.84 35.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.82 -176.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 22.6 t -92.39 115.17 27.86 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -111.93 128.88 56.28 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.084 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.65 ' CG ' HG21 ' A' ' 24' ' ' ILE . 26.3 mtm180 -101.71 127.41 48.48 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.448 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 6.3 m -77.04 110.84 12.01 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.555 HD12 HD13 ' A' ' 44' ' ' ILE . 34.8 mm -69.57 100.91 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.568 -175.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -110.51 130.36 22.97 Favored Pre-proline 0 C--N 1.315 -0.913 0 CA-C-N 114.657 -1.156 . . . . 0.0 108.531 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.2 118.24 3.44 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.521 2.147 . . . . 0.0 111.991 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.6 m -134.67 166.91 21.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.227 -176.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.05 118.86 5.06 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 170.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 t 65.46 -171.77 0.19 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -172.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.3 mt 68.99 -72.1 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.173 0.589 . . . . 0.0 111.204 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.555 HD13 HD12 ' A' ' 37' ' ' ILE . 19.8 tt -169.96 156.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.288 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.058 -0.972 . . . . 0.0 109.771 178.439 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 111.188 0.07 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -53.57 -59.53 4.48 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -175.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.514 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 7.1 p-10 -88.54 5.63 41.82 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.833 -177.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 36.1 tt0 -75.1 -42.71 56.01 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -64.0 -35.64 81.38 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.768 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 32.5 t -61.47 -39.85 92.38 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.102 176.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -66.37 -39.36 89.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.486 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 34.7 mmtp -57.72 -39.64 77.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.345 177.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' HG ' ' HD2' ' A' ' 35' ' ' ARG . 3.7 mm? -90.6 -5.34 56.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.147 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 63.06 28.38 16.13 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.107 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.67 -169.01 32.56 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 t -150.07 154.89 38.89 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.051 0.453 . . . . 0.0 110.645 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 15.7 m -78.11 103.14 7.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.266 -178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -129.95 170.61 13.73 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.046 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -85.88 -53.47 5.09 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.133 0.492 . . . . 0.0 110.535 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -105.59 132.9 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.281 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.9 m -70.88 133.91 46.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.376 . . . . 0.0 110.129 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.35 -158.42 34.23 Favored Glycine 0 N--CA 1.447 -0.63 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.63 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.761 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -52.61 125.08 15.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.127 0.489 . . . . 0.0 111.943 179.059 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 60.32 19.16 8.7 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.877 177.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 43.2 mt-10 -107.87 138.61 43.81 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.963 0.411 . . . . 0.0 111.347 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -129.41 160.67 32.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.506 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.632 HD11 ' CB ' ' A' ' 32' ' ' LYS . 6.0 tp -76.34 122.22 24.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.167 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.623 HG21 ' HD3' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -112.98 -28.12 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.459 -174.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.573 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -158.52 158.03 33.21 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.366 0.603 . . . . 0.0 111.556 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -99.05 112.17 24.37 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.588 -1.187 . . . . 0.0 109.843 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 74.5 m -97.01 166.75 11.45 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.779 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 29' ' ' LYS . 14.2 mm100 -79.55 171.3 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.906 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 35.4 mtmm 67.78 11.34 8.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.651 0.594 . . . . 0.0 110.119 -173.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.0 m 76.16 7.21 3.59 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.256 1.023 . . . . 0.0 112.31 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.11 168.13 20.6 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.469 173.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HD11 ' A' ' 23' ' ' LEU . 11.7 mptt -132.47 158.21 42.65 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.457 ' HG ' ' CB ' ' A' ' 6' ' ' CYS . 46.9 t -92.41 115.91 28.51 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.483 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 61.1 m -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.623 ' HD3' HG21 ' A' ' 24' ' ' ILE . 18.1 ptt-85 -116.49 142.37 46.95 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.284 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.4 m -82.6 112.97 19.98 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.484 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.867 HD13 HG21 ' A' ' 44' ' ' ILE . 2.2 mm -63.18 110.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.16 177.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 53.7 mt-30 -111.55 128.31 25.59 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.429 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 18.7 Cg_exo -67.89 120.01 7.01 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.761 2.307 . . . . 0.0 112.544 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 51.1 m -153.0 -160.28 1.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.7 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.28 123.17 31.6 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.92 177.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 t 62.71 -145.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.3 pt -80.86 -178.89 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.019 175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.867 HG21 HD13 ' A' ' 37' ' ' ILE . 9.4 tt -74.93 124.34 32.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.678 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.406 -177.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.2 t80 . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 120.764 0.316 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -61.88 -45.66 92.8 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.924 -173.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.498 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 4.2 p30 -91.23 0.49 57.52 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.869 -0.732 . . . . 0.0 111.613 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -65.74 -44.82 84.82 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 168.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -65.75 -44.02 87.18 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.278 -1.328 . . . . 0.0 109.773 173.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB2' ' HA ' ' A' ' 3' ' ' ASP . 5.9 t -58.37 -48.51 80.36 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.966 0.413 . . . . 0.0 110.816 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -58.13 -41.29 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.392 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -67.27 -27.25 67.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.582 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' LEU . 3.8 mm? -97.8 -4.74 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.556 0.217 . . . . 0.0 111.054 177.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.83 27.26 12.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.051 -179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.82 179.35 32.77 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.653 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -125.58 148.88 48.78 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.2 m -86.03 100.37 12.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -124.15 172.87 8.69 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.048 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 41.4 m-80 -88.31 -52.83 5.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.876 0.37 . . . . 0.0 110.449 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -114.17 129.23 56.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.77 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 7.1 m -74.4 147.77 41.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.424 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.88 -157.49 18.4 Favored Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.425 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.8 130.3 28.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.099 0.476 . . . . 0.0 112.143 -178.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 58.66 28.6 17.41 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.036 -0.984 . . . . 0.0 112.554 172.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -110.23 152.61 25.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.221 0.534 . . . . 0.0 111.539 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.48 ' HG2' HD11 ' A' ' 37' ' ' ILE . 13.9 pt-20 -127.95 156.26 42.93 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.52 175.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.706 HD11 ' CG ' ' A' ' 32' ' ' LYS . 9.4 tp -92.11 118.04 30.44 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 177.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.64 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -114.81 -20.86 5.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.827 -168.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.63 155.92 20.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.636 0.255 . . . . 0.0 110.363 -178.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -109.43 119.98 41.11 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.984 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 31' ' ' LEU . 88.9 m -97.53 -175.83 3.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.781 -175.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -90.22 173.27 8.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.186 175.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 67.29 15.55 9.98 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.047 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t 80.97 -4.2 1.74 Allowed 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.441 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 27' ' ' CYS . 3.7 mm? -74.96 153.26 38.64 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 174.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.706 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.69 160.31 41.41 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 120.965 0.412 . . . . 0.0 110.966 171.01 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 23.2 t -82.52 119.38 24.15 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.422 -168.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.48 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 32.7 m -117.02 130.56 56.76 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.391 174.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.64 ' CD ' HG21 ' A' ' 24' ' ' ILE . 1.8 ptm180 -117.15 136.17 53.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.313 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.7 m -79.96 109.99 14.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.328 0.585 . . . . 0.0 109.802 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 44' ' ' ILE . 35.4 mm -73.82 126.21 34.18 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.191 -174.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.57 ' HB3' ' HD2' ' A' ' 39' ' ' PRO . 21.4 mt-30 -75.28 171.81 10.83 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.471 175.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.57 ' HD2' ' HB3' ' A' ' 38' ' ' GLN . 66.0 Cg_exo -42.45 146.08 0.82 Allowed 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.68 2.253 . . . . 0.0 112.937 176.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 t -67.85 -12.81 61.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.779 -173.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.98 116.5 4.28 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 119.863 -1.16 . . . . 0.0 111.592 176.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.3 m 65.6 159.45 0.12 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.092 0.557 . . . . 0.0 111.8 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 62.5 mt 74.32 -66.68 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 123.292 0.637 . . . . 0.0 111.694 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.597 HD13 HD12 ' A' ' 37' ' ' ILE . 6.2 tt -141.94 130.42 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.992 0.425 . . . . 0.0 110.806 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.326 178.666 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -58.42 -45.92 87.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.112 0.482 . . . . 0.0 110.686 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.435 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 4.0 p30 -88.14 3.23 49.95 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.091 -0.644 . . . . 0.0 111.587 -179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -76.22 -34.53 59.23 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 169.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -69.43 -37.84 77.58 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.356 170.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.562 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 45.7 t -57.7 -42.7 84.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 109.622 174.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -59.24 -50.89 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.815 176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -58.19 -44.29 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.182 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.85 -0.59 39.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 66.19 40.62 3.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.627 171.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.04 169.34 13.06 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 m -116.69 147.78 41.66 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 32' ' ' LYS . 4.4 m -88.58 106.5 18.35 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -118.9 174.86 6.05 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-O 121.218 0.532 . . . . 0.0 110.278 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -85.13 -23.41 28.45 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.467 171.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -145.73 148.42 32.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.602 -176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.42 ' SG ' HD13 ' A' ' 23' ' ' LEU . 46.4 m -86.74 131.19 34.2 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.195 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.64 -158.18 31.42 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.541 -0.754 . . . . 0.0 112.363 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.96 120.64 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.398 0.618 . . . . 0.0 111.868 -177.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 56.95 32.08 20.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.892 176.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.572 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 49.1 mt-10 -108.39 156.23 19.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.628 0.251 . . . . 0.0 110.462 176.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -137.7 159.15 42.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.473 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' A' ' 32' ' ' LYS . 5.0 tp -84.45 118.22 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.533 HG13 ' HB3' ' A' ' 33' ' ' CYS . 1.2 pp -113.52 -20.38 6.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.59 -172.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.86 158.97 13.14 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 120.972 0.415 . . . . 0.0 110.766 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD12 ' HG3' ' A' ' 32' ' ' LYS . 47.8 tp -106.01 136.89 44.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.455 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 94.6 m -115.61 175.03 5.71 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.466 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -74.4 172.22 12.31 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HB2' HD23 ' A' ' 31' ' ' LEU . 36.7 mtmm 64.12 10.65 5.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.736 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.8 t 76.48 7.43 3.38 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.752 0.821 . . . . 0.0 111.594 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -73.4 162.87 28.82 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.514 0.197 . . . . 0.0 110.629 175.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HB2' HD11 ' A' ' 23' ' ' LEU . 7.5 mptt -137.1 155.18 49.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.763 0.316 . . . . 0.0 110.506 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.562 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 49.5 t -83.59 116.56 22.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.558 -177.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.6 m -108.66 121.41 44.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.581 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' CD ' HG21 ' A' ' 24' ' ' ILE . 65.5 mtp180 -106.9 130.65 54.54 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.572 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -82.17 112.74 19.47 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.377 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.61 ' HA ' HG23 ' A' ' 44' ' ' ILE . 2.5 mm -54.09 119.8 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.268 -176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -80.73 132.01 59.02 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.395 -177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.5 178.08 8.06 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.87 2.38 . . . . 0.0 112.189 177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m 73.64 -61.64 0.49 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.374 0.67 . . . . 0.0 112.06 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.66 119.61 5.32 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.72 -176.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.9 p 42.01 -114.6 0.27 Allowed 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.534 0.734 . . . . 0.0 111.992 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.566 HG13 ' H ' ' A' ' 44' ' ' ILE . 1.9 pt -140.37 -88.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.066 175.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.61 HG23 ' HA ' ' A' ' 37' ' ' ILE . 2.6 pt -129.31 29.25 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.77 0.795 . . . . 0.0 109.723 176.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--O 1.246 0.873 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.251 -179.67 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 111.177 0.066 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -55.35 -47.79 75.21 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.755 0.312 . . . . 0.0 111.14 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 6.6 p-10 -93.76 1.84 56.4 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.951 -0.699 . . . . 0.0 112.009 -178.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -72.18 -39.14 68.86 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 166.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -64.31 -44.17 92.43 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.558 -1.201 . . . . 0.0 109.276 171.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 36.5 t -56.35 -43.93 79.56 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.54 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -59.09 -44.87 91.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.824 178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -64.17 -33.03 74.86 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.263 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -89.77 -1.74 58.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.576 0.227 . . . . 0.0 111.243 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 66.41 32.13 7.76 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.205 176.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.26 -169.71 23.95 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.651 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 m -147.87 150.36 33.98 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' LEU . 8.3 m -89.58 109.69 20.61 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -130.19 175.51 8.86 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.8 -175.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.65 ' O ' ' HE2' ' A' ' 32' ' ' LYS . 22.2 t-20 -70.36 -64.92 0.8 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.528 0.68 . . . . 0.0 110.488 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -123.48 144.45 49.52 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.331 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.46 ' SG ' HD23 ' A' ' 23' ' ' LEU . 4.0 m -71.32 144.15 50.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.759 -177.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.43 -159.04 33.68 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.24 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.16 131.4 49.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.893 0.377 . . . . 0.0 111.984 -177.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 40.45 60.53 1.82 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.802 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 23.1 mt-10 -120.18 154.29 35.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.839 173.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -122.86 155.1 37.34 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.666 HD21 ' CG ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -91.7 137.25 32.52 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.603 0.716 . . . . 0.0 109.692 176.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -130.93 -30.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.181 -170.022 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.575 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -161.74 155.38 21.48 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 32' ' ' LYS . 81.9 mt -107.78 133.35 52.3 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.114 -178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.6 m -113.79 178.12 4.4 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.758 -174.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -90.86 174.88 7.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.87 174.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt 70.1 25.05 4.81 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.712 0.633 . . . . 0.0 111.182 177.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.3 t 68.5 21.33 8.17 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.52 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 13' ' ' CYS . 94.6 mt -106.89 155.06 20.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.24 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.666 ' CG ' HD21 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -144.68 154.9 43.25 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.368 169.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 49.5 t -75.59 108.92 8.74 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.222 0.534 . . . . 0.0 110.868 -173.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.403 ' SG ' ' HE3' ' A' ' 32' ' ' LYS . 19.0 m -111.23 127.4 55.6 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.637 175.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.741 ' CD ' HG21 ' A' ' 24' ' ' ILE . 2.6 ptm180 -122.93 127.05 48.39 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.299 0.571 . . . . 0.0 110.537 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.598 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -72.25 134.5 45.63 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.243 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.521 ' HA ' HD12 ' A' ' 44' ' ' ILE . 8.5 mm -55.88 123.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.987 175.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -58.94 155.79 29.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.801 -173.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.94 -171.19 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 123.598 2.866 . . . . 0.0 113.799 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.3 m -45.03 -40.67 6.81 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 -175.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.78 117.13 8.39 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.547 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.2 m 55.38 -168.08 0.09 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.278 0.631 . . . . 0.0 112.177 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.4 pt -93.87 -167.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.752 175.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.531 HD11 ' HG3' ' A' ' 35' ' ' ARG . 6.6 tt -82.76 -34.85 11.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.771 0.32 . . . . 0.0 110.302 176.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.371 -174.357 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.369 0.128 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -62.76 -55.74 23.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.569 0.223 . . . . 0.0 110.982 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.489 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 8.8 p-10 -85.18 -2.15 57.7 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.711 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -68.91 -40.87 78.88 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 169.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -66.8 -38.83 87.28 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.376 172.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 3' ' ' ASP . 36.4 t -57.84 -44.16 86.34 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.509 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -64.66 -35.79 82.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.863 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -32.99 73.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.699 179.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.07 -5.25 59.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.828 176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt 65.32 35.93 7.26 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.741 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.35 176.83 17.68 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.763 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -125.9 150.58 47.83 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.426 ' O ' HD12 ' A' ' 31' ' ' LEU . 3.2 m -83.81 102.02 12.03 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -123.86 166.16 16.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.918 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -73.35 -48.66 32.41 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.706 0.288 . . . . 0.0 111.043 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -126.14 142.2 51.62 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 28.5 m -70.14 142.06 52.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.206 -178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.09 -158.99 34.06 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.826 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.594 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 2.6 pptp? -57.88 122.96 14.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.991 0.424 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.2 t30 54.71 44.32 28.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.542 176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 40.3 mt-10 -118.86 138.95 52.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 176.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -109.65 156.1 20.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.039 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.643 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.9 tp -82.35 116.25 21.76 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.546 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -104.62 -33.08 2.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.558 -170.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.546 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -162.52 172.78 14.94 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 120.935 0.398 . . . . 0.0 110.849 -174.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' CD1' ' HG3' ' A' ' 32' ' ' LYS . 49.5 tp -123.5 142.31 51.14 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.107 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -129.47 -177.35 4.22 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.489 -173.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.53 170.86 11.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.039 177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB2' HD23 ' A' ' 31' ' ' LEU . 48.6 mtmt 61.62 14.86 6.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.7 p 61.27 24.63 14.72 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.831 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 13' ' ' CYS . 2.0 mm? -79.04 152.5 30.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 173.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.643 ' HB3' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -126.66 145.18 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.093 0.473 . . . . 0.0 110.891 177.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 72.2 m -83.99 128.67 34.71 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.228 -175.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 57.9 m -121.41 135.34 55.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.129 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' HD3' HG21 ' A' ' 24' ' ' ILE . 27.9 ptt180 -117.88 134.52 54.86 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 178.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.509 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 3.8 m -83.18 120.69 26.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.337 -177.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.848 HD13 HD12 ' A' ' 44' ' ' ILE . 1.6 mm -63.97 106.38 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-O 122.03 0.919 . . . . 0.0 111.926 -178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -111.59 144.17 30.04 Favored Pre-proline 0 C--N 1.315 -0.915 0 CA-C-N 114.439 -1.255 . . . . 0.0 109.122 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.49 117.02 4.54 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 121.963 1.776 . . . . 0.0 111.162 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t 179.29 161.1 0.76 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -176.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.7 126.42 7.54 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.933 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.0 m 64.61 -150.86 0.28 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.42 0.288 . . . . 0.0 110.942 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.9 mt 75.34 -78.19 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 C-N-CA 123.289 0.635 . . . . 0.0 110.597 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.848 HD12 HD13 ' A' ' 37' ' ' ILE . 24.6 pt -91.72 24.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.036 0.446 . . . . 0.0 111.13 -175.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.459 -0.782 . . . . 0.0 110.246 178.219 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 120.64 0.257 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -59.57 -48.07 83.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 110.831 -176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.432 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 10.6 p-10 -91.72 8.98 34.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.306 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -80.26 -37.65 32.49 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.938 -1.504 . . . . 0.0 106.938 165.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -61.65 -40.78 96.14 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.653 -1.158 . . . . 0.0 109.208 168.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.458 ' HG ' ' CB ' ' A' ' 33' ' ' CYS . 49.3 t -61.07 -43.9 98.19 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.248 176.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -57.82 -55.03 40.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.961 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' HD3' ' O ' ' A' ' 8' ' ' LYS . 10.2 tmtt? -60.28 -46.37 90.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.707 -179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD21 HH11 ' A' ' 35' ' ' ARG . 52.3 tp -73.04 -7.28 50.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.632 -177.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 66.32 36.03 5.53 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.066 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.42 146.69 21.04 Favored Glycine 0 N--CA 1.444 -0.788 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.227 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 p -100.64 131.44 46.54 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 120.654 0.264 . . . . 0.0 111.28 -178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.61 106.38 15.28 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -132.73 175.43 9.34 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.94 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -74.4 -61.41 1.88 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.29 0.567 . . . . 0.0 109.827 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.434 HD22 ' C ' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -118.25 152.9 34.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.655 -179.782 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 26.9 m -74.56 138.45 43.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.934 0.397 . . . . 0.0 111.193 -177.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.75 -159.13 34.86 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.052 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 129.24 40.26 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.98 0.419 . . . . 0.0 111.261 -177.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 53.15 49.68 19.44 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.364 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.531 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 90.0 mt-10 -127.13 156.66 41.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.95 0.405 . . . . 0.0 111.282 179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.2 pt-20 -137.53 162.54 33.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.617 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -83.0 134.32 35.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.534 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -124.27 -32.42 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.907 -171.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.534 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -168.17 173.44 7.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.243 -174.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.61 142.24 47.82 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.221 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 54.2 m -120.14 172.18 7.95 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.465 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -72.95 171.54 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.607 ' HB2' HD23 ' A' ' 31' ' ' LEU . 31.2 mtmm 67.47 15.12 9.8 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.395 0.435 . . . . 0.0 110.167 -177.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 80.4 p 58.66 34.59 23.93 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.62 1.168 . . . . 0.0 112.196 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.7 mm? -84.28 140.38 31.68 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.087 0.47 . . . . 0.0 111.132 172.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB3' HD21 ' A' ' 23' ' ' LEU . 4.6 mptp? -103.26 127.39 50.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.884 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.458 ' CB ' ' HG ' ' A' ' 6' ' ' CYS . 90.8 m -75.27 108.5 8.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 49.3 m -112.51 125.82 54.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.031 179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.489 HH11 HD21 ' A' ' 9' ' ' LEU . 16.7 ptt180 -102.62 136.46 42.4 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.4 m -85.91 118.49 25.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.074 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.658 HG23 HG23 ' A' ' 44' ' ' ILE . 34.0 mm -70.74 126.43 30.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.984 -175.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 16.2 pt20 -91.17 147.91 36.67 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.571 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 12.0 Cg_exo -70.74 127.08 13.34 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.695 2.264 . . . . 0.0 112.01 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -165.5 -167.57 1.16 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.22 117.17 9.76 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.709 175.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p 39.14 80.8 0.03 OUTLIER 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.351 0.596 . . . . 0.0 112.308 -170.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.444 ' HB ' HD13 ' A' ' 44' ' ' ILE . 1.6 pt 33.37 -97.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 CA-C-N 113.563 -1.653 . . . . 0.0 113.899 -179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.658 HG23 HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -130.82 20.67 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.241 0 O-C-N 122.181 -0.324 . . . . 0.0 111.818 -177.19 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 117.83 -1.081 . . . . 0.0 110.412 178.693 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 5' ' ' LYS . 97.6 m-85 -64.63 -22.28 66.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.085 0.469 . . . . 0.0 110.591 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 6' ' ' CYS . 10.7 p-10 -90.16 -1.3 57.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.959 0.409 . . . . 0.0 111.663 177.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -78.38 -34.79 47.97 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 165.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 2' ' ' PHE . 25.4 tptp -66.3 -33.42 75.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.123 -1.398 . . . . 0.0 109.435 169.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.875 ' HG ' ' HG ' ' A' ' 33' ' ' CYS . 19.1 t -56.65 -45.57 81.53 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.03 0.443 . . . . 0.0 110.393 175.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.36 -41.26 88.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.179 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -60.97 -38.51 86.18 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.145 -0.934 . . . . 0.0 111.355 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 HD21 ' NZ ' ' A' ' 5' ' ' LYS . 4.0 mm? -86.72 -5.87 59.0 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm 68.17 30.46 5.73 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.636 0.585 . . . . 0.0 110.352 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.96 172.33 38.43 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.28 130.73 43.18 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.818 0.342 . . . . 0.0 111.402 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.601 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 0.8 OUTLIER -86.17 100.91 12.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.865 176.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.35 175.02 6.64 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.697 172.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.38 -34.26 58.88 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.792 0.806 . . . . 0.0 109.172 176.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -119.0 148.19 43.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.459 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 23.3 m -83.94 142.23 30.68 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.67 -159.74 35.89 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.763 -176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -58.65 126.54 28.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 111.43 -177.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 57.49 27.83 14.61 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.808 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.529 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 83.7 mt-10 -100.53 139.34 36.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.257 0.551 . . . . 0.0 112.016 -176.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -113.81 164.61 13.51 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.453 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.766 HD11 ' HB3' ' A' ' 32' ' ' LYS . 5.1 tp -85.88 116.89 24.4 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.55 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -108.21 -26.85 3.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 -171.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -169.61 167.57 9.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.266 0.555 . . . . 0.0 111.305 -177.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -108.76 124.2 50.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.514 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 13' ' ' CYS . 76.5 m -99.28 -179.85 4.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.553 -176.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -68.21 168.12 12.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 110.361 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' HD23 ' A' ' 31' ' ' LEU . 2.5 mppt? 59.54 14.53 3.96 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.882 -173.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.8 t 68.62 30.22 5.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.704 0.801 . . . . 0.0 111.086 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD23 ' HB2' ' A' ' 29' ' ' LYS . 1.3 mm? -75.25 159.93 30.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.053 0.454 . . . . 0.0 111.449 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.766 ' HB3' HD11 ' A' ' 23' ' ' LEU . 30.4 mtmt -112.46 120.99 43.53 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.875 ' HG ' ' HG ' ' A' ' 6' ' ' CYS . 45.5 t -81.09 115.51 20.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.731 179.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.514 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 10.5 m -117.45 138.97 51.5 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.093 -177.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 11.0 ptt180 -117.15 133.81 55.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.699 0.285 . . . . 0.0 110.593 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 m -81.24 96.54 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.898 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mm -72.17 123.0 25.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.032 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 74.3 mt-30 -95.9 146.93 32.18 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.72 177.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 35.0 Cg_exo -61.57 141.92 93.04 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.747 2.298 . . . . 0.0 111.939 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 t 70.53 165.21 0.28 Allowed 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.692 0.62 . . . . 0.0 110.335 -177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 42' ' ' SER . . . -89.42 116.92 4.82 Favored Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 120.123 -1.037 . . . . 0.0 112.256 -176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 41' ' ' GLY . 38.8 t 167.63 143.93 0.02 OUTLIER 'General case' 0 C--O 1.236 0.388 0 C-N-CA 123.864 0.866 . . . . 0.0 108.89 178.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.7 mt 70.69 -57.14 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 124.034 0.834 . . . . 0.0 111.299 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.8 tt -140.2 137.24 37.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.223 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.244 -0.884 . . . . 0.0 109.034 176.583 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.0 t80 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 111.124 0.046 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -51.65 -60.26 3.35 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.289 0.368 . . . . 0.0 111.9 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.567 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 6.3 p-10 -89.63 1.17 56.35 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.926 -0.71 . . . . 0.0 112.289 -175.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 11.1 tp10 -69.77 -45.01 69.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 168.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -67.97 -35.9 79.14 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.993 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.567 ' CB ' ' HA ' ' A' ' 3' ' ' ASP . 38.3 t -57.15 -48.79 77.81 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.139 0.495 . . . . 0.0 110.037 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -59.85 -50.41 73.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.801 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 4' ' ' GLU . 34.9 mmtp -62.41 -44.09 97.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.063 -178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.8 tp -80.83 1.03 32.38 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.928 -173.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm 71.41 43.96 0.57 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.435 171.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -124.96 170.03 16.93 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 p -129.64 135.34 48.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.972 0.386 . . . . 0.0 110.853 177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 m -81.34 111.83 18.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.989 0.423 . . . . 0.0 109.972 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -134.17 175.06 9.83 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.34 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -81.95 -54.49 5.28 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.833 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -114.9 142.2 46.9 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 57.8 m -75.37 132.97 41.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.058 0.456 . . . . 0.0 110.74 -177.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.41 -156.6 32.56 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 17.0 ptmt -41.48 109.56 0.13 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.449 0.7 . . . . 0.0 112.678 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 37' ' ' ILE . 2.4 t-20 43.99 57.63 4.07 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.169 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.639 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 28.2 mt-10 -109.66 143.21 39.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.069 176.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.412 ' HG3' ' CG2' ' A' ' 24' ' ' ILE . 24.8 pt-20 -109.06 146.84 33.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.12 178.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.707 HD11 ' CG ' ' A' ' 32' ' ' LYS . 7.9 tp -93.13 116.25 28.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.618 HG21 ' CD ' ' A' ' 35' ' ' ARG . 1.1 pp -114.85 -22.53 4.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.714 -167.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -159.19 160.97 36.07 Favored 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.741 0.305 . . . . 0.0 110.316 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 32' ' ' LYS . 99.4 mt -116.31 120.16 38.02 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.712 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 96.1 m -101.53 178.95 4.49 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.127 -171.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -83.89 171.54 12.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.102 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm 66.47 15.7 10.19 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.561 0.538 . . . . 0.0 110.586 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.7 m 77.92 -1.57 2.58 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.045 -0.98 . . . . 0.0 112.035 179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.57 156.36 39.49 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.707 ' CG ' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -144.37 157.0 44.48 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.571 172.002 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.503 ' HB3' HG13 ' A' ' 24' ' ' ILE . 34.6 t -81.28 111.87 18.08 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 -169.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 17' ' ' CYS . 58.7 m -107.0 128.33 54.26 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.184 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.618 ' CD ' HG21 ' A' ' 24' ' ' ILE . 55.1 mtp180 -108.14 123.95 49.51 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.639 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.0 m -78.65 112.62 15.94 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.26 0.552 . . . . 0.0 110.185 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.778 HD12 HG21 ' A' ' 44' ' ' ILE . 31.9 mm -65.54 132.06 31.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.592 -176.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -76.55 150.26 81.96 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.836 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -48.94 128.83 19.96 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.854 2.369 . . . . 0.0 111.905 177.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 m 72.25 123.33 0.04 OUTLIER 'General case' 0 C--O 1.236 0.345 0 O-C-N 124.054 0.847 . . . . 0.0 111.167 -175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.08 119.89 19.0 Favored Glycine 0 N--CA 1.449 -0.486 0 CA-C-N 115.082 -0.963 . . . . 0.0 113.604 -173.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 m -144.1 134.39 24.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 175.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.9 mt 73.42 -50.48 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 123.707 0.629 . . . . 0.0 111.802 178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.778 HG21 HD12 ' A' ' 37' ' ' ILE . 5.1 pt -63.8 165.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.557 -176.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.859 178.096 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -54.31 -59.29 4.86 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 7.5 p-10 -89.91 -2.02 58.1 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.289 -0.564 . . . . 0.0 111.477 -178.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.82 -42.22 77.54 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 166.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -63.83 -38.31 90.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.393 171.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 47.1 t -59.68 -41.67 91.19 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.654 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -61.0 -42.59 98.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.289 0.566 . . . . 0.0 110.295 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.73 -43.78 97.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.796 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.52 -3.93 49.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.706 0.289 . . . . 0.0 111.269 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 65.01 37.92 6.54 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.019 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -88.8 152.28 22.94 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.639 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 m -108.56 149.81 28.35 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.664 0.268 . . . . 0.0 110.657 -176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.19 104.87 11.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.33 0.586 . . . . 0.0 110.159 174.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 16' ' ' ASN . 19.2 ptpt -136.86 160.19 39.61 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.216 177.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -84.24 -44.79 13.54 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.635 0.731 . . . . 0.0 109.965 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 25.3 m-80 -110.09 126.78 54.39 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.177 179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.506 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 8.4 m -70.5 137.04 49.88 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.11 -158.03 33.32 Favored Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.443 -175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.631 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -46.61 116.09 1.22 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.161 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 54.01 52.65 12.44 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.498 173.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 43.8 mt-10 -125.8 162.74 24.42 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.261 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -135.89 157.88 45.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.887 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -80.29 113.11 18.23 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -100.37 -37.48 5.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.764 -174.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.87 165.12 37.67 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.279 -175.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 71.9 mt -105.41 139.65 39.72 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.618 -177.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 72.0 m -113.89 169.68 8.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.594 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.553 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 26.9 mm-40 -71.63 173.01 8.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.88 176.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 0.2 OUTLIER 50.8 27.18 2.94 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 122.203 1.002 . . . . 0.0 112.059 -177.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.3 t 71.52 20.8 4.68 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 113.565 -1.652 . . . . 0.0 112.258 174.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.04 178.5 7.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.174 0.511 . . . . 0.0 110.858 173.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.75 152.9 38.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.885 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 96.1 m -88.65 118.92 28.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HG ' ' HG ' ' A' ' 17' ' ' CYS . 66.8 m -117.32 129.87 56.16 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -112.59 137.06 51.38 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.549 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 63.6 m -79.3 123.53 27.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.217 176.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.5 HG23 HG21 ' A' ' 44' ' ' ILE . 42.2 mm -67.73 99.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.613 -176.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 39' ' ' PRO . 26.1 pt20 -100.13 133.63 21.4 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.684 177.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 38' ' ' GLN . 50.2 Cg_exo -54.68 117.38 3.92 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.542 2.161 . . . . 0.0 112.088 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.2 m -160.6 166.91 28.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.952 -176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.44 133.0 11.46 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.717 178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.3 t 69.77 177.89 0.26 Allowed 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.227 0.611 . . . . 0.0 110.531 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.8 mm 71.76 -58.05 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 123.079 0.552 . . . . 0.0 111.037 -176.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.5 HG21 HG23 ' A' ' 37' ' ' ILE . 19.0 tt -154.42 151.99 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 177.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.214 -176.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.2 t80 . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 111.308 0.114 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -58.08 -54.81 42.78 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.745 0.307 . . . . 0.0 111.505 -174.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.48 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 5.0 p-10 -92.69 0.55 57.44 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.914 -0.715 . . . . 0.0 111.56 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -71.78 -38.43 70.32 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 168.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -64.45 -44.41 91.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 114.165 -1.38 . . . . 0.0 109.53 170.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.48 ' HB2' ' HA ' ' A' ' 3' ' ' ASP . 20.2 t -56.59 -47.08 80.35 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.719 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -59.71 -42.0 92.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.336 0.588 . . . . 0.0 110.705 178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -58.32 -43.17 88.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.952 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -83.98 -4.16 58.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.041 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt 65.2 34.62 8.36 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.991 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.18 173.77 26.77 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.554 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.2 m -123.33 148.98 45.45 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' O ' HD12 ' A' ' 31' ' ' LEU . 4.2 m -87.62 100.94 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -123.28 175.59 6.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 -178.592 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' HB3' ' ND2' ' A' ' 16' ' ' ASN . 17.5 t-20 -74.31 -46.58 40.11 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 122.052 0.929 . . . . 0.0 109.031 173.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 15' ' ' ASN . 19.7 m-80 -117.84 149.04 41.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.984 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 34.3 m -81.91 144.21 31.12 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.46 -159.46 34.12 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.899 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -66.33 129.91 41.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.639 0.257 . . . . 0.0 110.89 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 54.13 57.81 5.58 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.078 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 80.3 mt-10 -134.22 148.96 50.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.419 -178.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -121.27 161.56 21.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.89 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.5 tp -85.85 109.37 18.65 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.543 HG13 ' N ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -98.11 -26.7 3.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.176 -170.257 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.543 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -166.14 162.81 17.89 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.115 0.483 . . . . 0.0 110.951 -177.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD13 ' C ' ' A' ' 26' ' ' LEU . 2.4 tm? -117.0 132.44 56.7 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.121 178.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.7 m -113.02 -176.21 2.84 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.491 -172.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.0 mm-40 -80.31 170.16 16.78 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.581 ' HB2' HD23 ' A' ' 31' ' ' LEU . 33.1 mtmm 65.65 11.64 7.66 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.418 0.448 . . . . 0.0 110.424 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.1 m 72.04 18.53 4.88 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.951 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 29' ' ' LYS . 3.7 mm? -80.31 152.38 29.03 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.937 0.399 . . . . 0.0 111.031 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.86 ' HB3' HD11 ' A' ' 23' ' ' LEU . 52.2 mttt -125.36 140.18 53.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 6' ' ' CYS . 99.8 m -84.35 118.64 24.35 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 120.843 0.354 . . . . 0.0 110.487 -179.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 14' ' ' LYS . 21.7 m -117.19 127.13 53.81 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.864 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' HB3' HG21 ' A' ' 24' ' ' ILE . 27.1 ptt180 -110.67 139.85 45.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 4.4 m -81.12 117.21 21.48 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.974 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.487 HG23 HG21 ' A' ' 44' ' ' ILE . 45.1 mm -60.98 137.19 23.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.971 -175.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.73 129.49 44.4 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 170.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -59.92 117.2 3.92 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.116 1.877 . . . . 0.0 111.962 -177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 t 177.69 165.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.28 140.04 15.97 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.962 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 21.5 m 61.04 -149.1 0.42 Allowed 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.2 mt 75.05 -55.15 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 123.148 0.579 . . . . 0.0 111.426 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.487 HG21 HG23 ' A' ' 37' ' ' ILE . 41.9 pt -89.14 168.51 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.168 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.81 -0.614 . . . . 0.0 110.333 179.73 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.7 t80 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 111.306 0.113 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -53.18 -60.62 3.07 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.025 0.44 . . . . 0.0 111.111 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 6.2 p-10 -88.05 1.37 54.4 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.508 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.36 -40.49 74.02 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 168.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.32 -35.08 77.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.747 171.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 48.7 t -59.21 -47.14 86.44 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.131 0.491 . . . . 0.0 110.059 175.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -62.62 -43.52 98.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.13 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -56.68 -36.46 69.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.032 175.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 96.6 mt -91.74 3.39 55.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.546 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? 67.46 36.21 3.92 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.433 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -106.79 149.46 16.6 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.889 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.1 p -105.67 133.83 49.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.119 0.485 . . . . 0.0 111.397 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.8 m -79.43 123.61 27.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.197 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -145.36 170.57 16.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.843 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -80.76 -45.58 16.79 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.821 0.343 . . . . 0.0 110.605 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.69 136.28 54.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.133 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 33.4 m -70.6 141.01 51.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.025 0.441 . . . . 0.0 110.839 -173.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.48 -159.36 34.84 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.391 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -55.71 123.49 14.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.959 0.409 . . . . 0.0 111.578 -177.661 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m120 53.14 46.6 26.29 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.962 174.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' HG2' ' HA ' ' A' ' 36' ' ' THR . 20.1 mt-10 -110.27 159.55 17.31 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.179 0.514 . . . . 0.0 111.88 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 13.1 pt-20 -126.27 161.91 26.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.703 177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.81 HD11 ' HB3' ' A' ' 32' ' ' LYS . 6.6 tp -95.38 119.0 33.12 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.59 HG21 ' CD ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -112.93 -22.35 4.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -171.298 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.47 ' N ' HG13 ' A' ' 24' ' ' ILE . . . -173.24 168.13 4.73 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-O 121.521 0.677 . . . . 0.0 111.647 -176.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.5 mt -103.22 125.49 49.92 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.398 -1.274 . . . . 0.0 109.684 177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 46.5 t -96.91 160.96 14.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -66.05 164.87 14.49 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 171.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB2' HD23 ' A' ' 31' ' ' LEU . 30.3 mtmm 69.0 9.36 7.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.409 0.443 . . . . 0.0 110.177 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.6 m 73.07 16.85 4.24 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.725 0.81 . . . . 0.0 112.704 176.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD23 ' HB2' ' A' ' 29' ' ' LYS . 2.4 mm? -75.93 162.76 27.83 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.908 0.385 . . . . 0.0 110.555 175.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.81 ' HB3' HD11 ' A' ' 23' ' ' LEU . 1.2 mppt? -115.96 132.39 56.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.271 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . 86.3 m -77.26 113.06 14.62 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 22' ' ' GLU . 32.2 m -118.41 131.95 56.27 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.163 -178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.59 ' CD ' HG21 ' A' ' 24' ' ' ILE . 73.4 mtp180 -113.23 131.94 55.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.487 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.584 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 23.6 m -77.8 111.73 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.419 177.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.499 HD12 HG21 ' A' ' 44' ' ' ILE . 44.9 mm -69.35 123.34 22.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.647 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -104.03 129.19 25.66 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.201 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.28 128.84 24.97 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.436 2.09 . . . . 0.0 110.838 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.7 t 74.14 4.59 4.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.412 0.625 . . . . 0.0 110.253 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.07 176.92 39.79 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.494 177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -75.62 150.02 38.1 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.792 -0.24 . . . . 0.0 111.424 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mm 74.9 -64.54 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.431 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.499 HG21 HD12 ' A' ' 37' ' ' ILE . 12.6 tt -104.67 97.49 5.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.606 0.717 . . . . 0.0 109.736 178.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 C--O 1.248 1.021 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.19 -173.726 . . . . . . . . 0 0 . 1 stop_ save_