data_6nw8_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6nw8 _Structure_validation_residue.Date_analyzed 2019-06-28 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.027 0.441 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.644 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 36.4 m -113.5 124.77 53.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.451 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -122.52 -56.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 m -96.67 43.59 1.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.344 0.592 . . . . 0.0 110.884 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 1.7 p -155.38 154.22 31.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.627 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -90.94 146.45 23.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.69 -167.94 23.87 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.635 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.72 -135.02 1.23 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.18 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 34.8 t70 -66.57 159.12 28.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.681 -0.259 . . . . 0.0 110.886 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 14' ' ' VAL . 91.7 t80 -47.87 -50.0 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 16.2 t70 -55.22 -36.25 65.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 12.5 t -71.19 -30.65 66.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.57 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.668 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 75.3 mtt180 -79.92 -22.13 43.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' TYR . 85.9 t -79.01 -49.3 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.789 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 5.7 ptpp? -94.92 7.4 46.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.334 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.24 156.04 21.59 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.681 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -93.68 131.1 39.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.852 0.358 . . . . 0.0 110.261 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.0 t -87.0 109.76 19.6 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.54 126.49 25.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 55.82 41.12 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.028 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.17 7.55 84.63 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.84 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -126.51 135.78 51.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.154 0.502 . . . . 0.0 111.188 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 16.3 t -88.14 130.08 35.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.94 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 t -120.32 103.05 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.689 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 13.0 p . . . . . 0 C--N 1.321 -0.666 0 CA-C-O 121.435 0.636 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.881 0.372 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.9 m -116.49 91.15 3.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.822 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 3' ' ' LEU . 7.0 mp -90.41 -61.44 1.68 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 -177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 m -85.4 -29.8 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 p -88.03 140.92 29.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.217 0.532 . . . . 0.0 111.411 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -172.15 1.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.842 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.73 36.27 1.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.54 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.24 156.64 8.07 Favored Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -75.62 179.64 5.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.673 0.236 . . . . 0.0 110.897 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -51.37 -46.42 62.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.712 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.34 -37.3 16.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.584 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 m -85.19 -29.19 24.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.604 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 49.4 mtm-85 -83.54 -24.29 31.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.845 0.355 . . . . 0.0 111.656 -172.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.62 -23.9 11.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.422 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -133.83 16.57 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.642 -0.423 . . . . 0.0 112.015 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.72 164.69 17.55 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.971 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.443 ' HG1' ' HB ' ' A' ' 24' ' ' VAL . 40.2 p -96.06 133.79 39.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.613 0.244 . . . . 0.0 110.644 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -85.68 96.48 9.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -122.53 124.94 44.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.484 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 64.44 19.08 11.67 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.125 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.65 10.18 70.58 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.192 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -122.44 139.66 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.877 0.37 . . . . 0.0 110.248 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 27.0 t -75.69 124.37 27.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HB ' ' HG1' ' A' ' 17' ' ' THR . 59.6 t -119.67 101.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.262 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.32 -0.682 0 CA-C-O 121.543 0.687 . . . . 0.0 109.753 179.288 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.1 m -117.76 113.47 21.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.145 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt -91.46 -37.95 12.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.56 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -143.81 51.27 1.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.231 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.7 m -137.47 163.97 29.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.561 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -131.54 165.7 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.73 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 121.24 135.33 4.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.427 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.75 -170.52 54.61 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.517 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.62 169.04 19.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.05 -41.37 68.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 0.0 109.805 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.558 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 24.3 t70 -57.47 -33.68 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.01 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.67 -20.6 61.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.195 0.522 . . . . 0.0 110.532 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -88.89 -5.5 57.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.822 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.38 -61.68 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.558 ' HE3' ' OD1' ' A' ' 11' ' ' ASP . 22.0 pttp -96.07 -4.5 42.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.401 -176.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.46 165.81 39.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.89 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.7 p -106.99 131.17 54.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.345 0.117 . . . . 0.0 110.907 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.84 112.95 17.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.339 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -118.57 113.75 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.12 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 57.14 33.57 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.033 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.46 -1.87 79.87 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 113.002 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -108.22 124.98 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.828 0.346 . . . . 0.0 111.024 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 86.1 m -75.11 104.91 5.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -100.72 121.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.808 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -178.583 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 46.5 tp . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.09 88.91 2.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.913 0.387 . . . . 0.0 111.494 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.31 -34.05 10.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.017 0.437 . . . . 0.0 110.619 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 t -100.61 15.44 28.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.288 0.566 . . . . 0.0 110.287 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.0 m -136.28 144.79 44.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.501 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 95.3 mtt180 -114.69 169.88 8.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.175 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.85 132.07 4.61 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.692 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.57 -176.66 50.28 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.024 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.623 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.6 t70 -97.66 -172.61 2.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.458 ' O ' HG22 ' A' ' 14' ' ' VAL . 87.0 t80 -52.73 -51.62 59.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.297 0.373 . . . . 0.0 111.523 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -58.53 -32.76 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t -71.48 -34.96 70.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.231 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.718 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.5 mtt180 -83.8 -8.01 59.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.403 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 10' ' ' TYR . 88.5 t -87.15 -52.37 11.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.857 0.36 . . . . 0.0 110.686 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -4.59 55.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -177.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.4 163.09 40.6 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.905 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 p -101.51 137.91 39.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.874 0.369 . . . . 0.0 110.508 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -83.96 94.74 8.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.89 118.66 26.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.242 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.79 37.82 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.224 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 1.4 74.34 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.674 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 6' ' ' ARG . 4.7 tppp? -120.57 138.0 54.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.115 0.483 . . . . 0.0 110.287 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.718 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 13.8 t -83.06 118.36 23.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.292 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.1 t -102.53 99.02 7.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.812 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 121.29 0.567 . . . . 0.0 110.947 -178.052 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.824 0.345 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.3 m -105.42 110.0 22.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.978 0.418 . . . . 0.0 111.138 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.7 mt -104.11 -44.4 5.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -100.2 11.86 38.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.984 0.421 . . . . 0.0 111.696 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.0 m -126.68 144.15 51.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.59 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -101.67 154.26 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.076 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.23 -147.66 4.68 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.971 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.67 -106.67 1.86 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -73.8 158.93 33.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.873 -0.164 . . . . 0.0 111.188 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.6 t80 -49.1 -48.28 44.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.974 0.416 . . . . 0.0 110.638 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.21 -32.66 62.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.414 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 51.4 t -64.98 -38.98 92.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.848 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 12.5 ptm180 -92.56 5.06 52.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.887 0.375 . . . . 0.0 111.564 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' TYR . 95.9 t -87.39 -57.9 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 173.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -100.42 7.38 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.36 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.39 169.0 38.99 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.285 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -106.32 142.37 36.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.671 0.272 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.77 93.64 9.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.986 0.422 . . . . 0.0 109.932 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -118.84 120.52 37.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.711 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 46.3 39.91 6.96 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.33 -7.44 78.61 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.807 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -108.11 128.17 54.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.848 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 37.3 t -81.87 111.8 18.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.101 0.477 . . . . 0.0 109.84 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -101.11 99.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.557 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 6.3 p . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 121.791 0.805 . . . . 0.0 110.462 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 33.3 tp . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.837 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 52.2 t -84.14 96.63 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -175.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.5 mt -110.94 -37.85 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.2 t -74.74 -6.34 48.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.066 0.46 . . . . 0.0 111.148 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.837 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 76.6 m -120.23 163.18 18.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.26 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 12.2 ptp180 -121.18 170.6 9.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.942 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.69 137.7 7.87 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.964 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.79 179.13 49.08 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.465 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.1 p-10 -86.61 178.69 6.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -53.72 -50.69 65.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.314 0.384 . . . . 0.0 111.177 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.495 ' HA ' HG11 ' A' ' 14' ' ' VAL . 30.6 t70 -61.87 -35.27 77.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 0.0 110.325 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 42.6 t -65.83 -26.0 67.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.712 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 41.0 mtp180 -91.28 -27.97 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.64 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' A' ' 11' ' ' ASP . 6.0 p -84.01 -23.71 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.699 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -101.97 -14.08 17.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.14 161.4 20.81 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.808 -0.71 . . . . 0.0 113.788 -170.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.12 145.15 26.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.967 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -83.26 94.45 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.779 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.89 113.58 20.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.177 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.82 38.09 29.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.402 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.5 4.88 89.0 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.226 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 64.2 tttm -122.25 133.78 54.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.127 0.464 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -78.29 102.36 7.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.572 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.15 106.65 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.014 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 17.6 p . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 121.35 0.595 . . . . 0.0 110.763 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.017 0.437 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.792 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 48.5 t -134.36 56.37 1.85 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.75 0.786 . . . . 0.0 109.124 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.49 -27.47 24.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.83 -174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 p -88.06 4.5 44.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.792 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 57.6 m -133.11 171.34 14.13 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.974 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.71 174.26 10.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.44 54.52 0.51 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.656 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.46 176.2 37.39 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.26 178.72 7.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.293 0.547 . . . . 0.0 110.101 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.23 -58.67 7.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 110.682 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.3 p30 -60.53 -28.34 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.699 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 42.7 t -66.11 -25.88 67.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.68 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -88.55 -19.86 25.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 110.383 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -81.81 -50.28 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.084 0.469 . . . . 0.0 110.135 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 20.1 pttp -103.68 35.16 2.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.389 0.614 . . . . 0.0 110.27 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 12' ' ' CYS . . . -133.74 167.67 23.51 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.332 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -121.22 142.01 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 122.333 0.253 . . . . 0.0 110.547 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.04 100.62 6.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 109.91 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -114.53 122.63 47.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.745 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.7 m120 57.8 30.36 18.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.574 0.546 . . . . 0.0 110.978 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.61 21.33 69.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.022 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -134.17 146.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.2 m -77.96 105.96 9.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -104.97 110.21 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.912 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.318 -0.795 0 CA-C-O 121.336 0.588 . . . . 0.0 110.71 -178.206 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.5 tp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.935 0.398 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 m -85.17 79.67 9.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -91.57 -37.03 13.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.233 -175.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.4 m -92.55 16.81 11.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.605 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.1 p -160.04 167.0 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.015 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -114.89 -176.62 2.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.84 129.96 4.79 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.038 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.7 175.67 51.0 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.349 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.1 p-10 -86.78 -179.82 6.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.74 -48.62 69.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.174 0.297 . . . . 0.0 110.942 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.41 -27.56 69.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.153 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 t -76.17 -40.6 52.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.559 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 86.3 mtt180 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.277 -174.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 p -67.13 -29.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.908 0.385 . . . . 0.0 111.428 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -130.02 23.0 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 110.92 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.19 162.43 19.99 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.941 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.481 ' HG1' ' HB ' ' A' ' 24' ' ' VAL . 34.7 p -98.43 132.91 43.49 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.51 94.58 9.05 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -119.53 114.96 23.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.43 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 59.25 38.75 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.758 . . . . 0.0 110.824 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.31 10.82 85.4 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.343 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -122.24 125.06 45.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.829 0.347 . . . . 0.0 110.439 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.557 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 42.2 t -72.71 111.3 7.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.814 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.481 ' HB ' ' HG1' ' A' ' 17' ' ' THR . 42.1 t -108.82 95.33 3.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.475 -178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 7.8 p . . . . . 0 C--N 1.315 -0.911 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.417 175.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 96.7 mt . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.4 m -115.18 79.75 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.093 0.473 . . . . 0.0 110.097 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -98.43 -37.89 9.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.71 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.8 m -106.95 39.45 1.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.156 0.503 . . . . 0.0 110.919 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.9 p -167.03 174.36 8.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.292 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.41 174.62 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.334 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.73 -54.6 0.68 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.767 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.35 178.53 31.64 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.589 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -86.23 -173.14 4.41 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' O ' HG21 ' A' ' 14' ' ' VAL . 81.0 t80 -50.61 -53.43 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.491 0.495 . . . . 0.0 111.306 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -55.67 -34.72 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 66.2 m -73.98 -34.05 64.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 19.6 mtp180 -76.26 -12.46 60.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.988 0.423 . . . . 0.0 110.58 -176.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.46 ' O ' HD21 ' A' ' 1' ' ' LEU . 97.5 t -95.31 -56.14 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.208 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -103.31 9.85 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.727 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.08 170.81 27.85 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.107 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -107.79 134.38 50.82 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.062 0.458 . . . . 0.0 110.841 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 1' ' ' LEU . 12.7 t -85.42 97.39 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.61 126.79 37.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -173.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 60.37 32.21 20.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.729 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.99 7.87 84.46 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.507 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -120.75 136.54 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.94 106.41 8.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.792 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.04 103.75 15.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.681 -176.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--N 1.317 -0.807 0 CA-C-O 121.55 0.691 . . . . 0.0 110.868 179.322 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -69.83 91.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -102.28 -36.33 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.229 173.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 t -89.13 -1.14 57.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.553 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.1 m -124.59 144.08 50.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.113 0.482 . . . . 0.0 111.355 -175.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -112.68 173.73 6.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.522 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.0 127.59 4.54 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.881 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.24 179.06 52.37 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.452 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.7 m-20 -84.67 -177.93 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.4 t80 -56.9 -49.59 75.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.735 0.302 . . . . 0.0 110.831 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.69 -27.28 58.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.27 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -77.28 -39.32 48.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.266 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.833 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.0 mtt180 -76.32 -13.01 60.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.167 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 10' ' ' TYR . 84.3 t -86.85 -44.17 16.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.811 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -91.32 -17.29 26.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.402 . . . . 0.0 111.394 -175.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.72 163.61 51.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.167 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' HB ' ' A' ' 24' ' ' VAL . 15.4 p -97.39 130.19 44.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -77.9 96.71 5.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.58 110.46 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.586 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.82 38.08 21.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.375 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 -4.66 85.41 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.885 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -112.54 132.42 55.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.895 0.348 . . . . 0.0 110.307 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.833 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 11.0 t -82.96 110.75 18.21 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.698 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.533 ' HB ' ' OG1' ' A' ' 17' ' ' THR . 47.3 t -91.5 92.84 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.226 0.536 . . . . 0.0 110.305 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.335 178.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.027 0.441 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.644 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 36.4 m -113.5 124.77 53.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.451 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -122.52 -56.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 m -96.67 43.59 1.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.344 0.592 . . . . 0.0 110.884 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 1.7 p -155.38 154.22 31.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.627 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -90.94 146.45 23.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.69 -167.94 23.87 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.635 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.72 -135.02 1.23 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.18 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 34.8 t70 -66.57 159.12 28.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.681 -0.259 . . . . 0.0 110.886 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 14' ' ' VAL . 91.7 t80 -47.87 -50.0 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 16.2 t70 -55.22 -36.25 65.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 12.5 t -71.19 -30.65 66.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.57 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.668 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 75.3 mtt180 -79.92 -22.13 43.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 10' ' ' TYR . 85.9 t -79.01 -49.3 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.789 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 5.7 ptpp? -94.92 7.4 46.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.334 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.24 156.04 21.59 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.681 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -93.68 131.1 39.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.852 0.358 . . . . 0.0 110.261 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.0 t -87.0 109.76 19.6 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.54 126.49 25.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 55.82 41.12 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.028 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.17 7.55 84.63 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.84 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -126.51 135.78 51.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.154 0.502 . . . . 0.0 111.188 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 16.3 t -88.14 130.08 35.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.94 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 t -120.32 103.05 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.689 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 13.0 p -102.07 62.98 0.9 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.435 0.636 . . . . 0.0 110.686 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.29 -151.35 5.91 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.127 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.96 179.454 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.881 0.372 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.9 m -116.49 91.15 3.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.822 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 3' ' ' LEU . 7.0 mp -90.41 -61.44 1.68 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 -177.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 m -85.4 -29.8 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 p -88.03 140.92 29.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.217 0.532 . . . . 0.0 111.411 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -172.15 1.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.842 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.73 36.27 1.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.54 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.24 156.64 8.07 Favored Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -75.62 179.64 5.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.673 0.236 . . . . 0.0 110.897 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -51.37 -46.42 62.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.712 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.34 -37.3 16.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.584 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 m -85.19 -29.19 24.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.604 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 49.4 mtm-85 -83.54 -24.29 31.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.845 0.355 . . . . 0.0 111.656 -172.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.62 -23.9 11.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.422 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -133.83 16.57 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.642 -0.423 . . . . 0.0 112.015 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.72 164.69 17.55 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.971 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.443 ' HG1' ' HB ' ' A' ' 24' ' ' VAL . 40.2 p -96.06 133.79 39.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.613 0.244 . . . . 0.0 110.644 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -85.68 96.48 9.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -122.53 124.94 44.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.484 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 64.44 19.08 11.67 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.125 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.65 10.18 70.58 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.192 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -122.44 139.66 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.877 0.37 . . . . 0.0 110.248 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 27.0 t -75.69 124.37 27.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HB ' ' HG1' ' A' ' 17' ' ' THR . 59.6 t -119.67 101.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.262 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.0 p -104.2 47.75 0.87 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.543 0.687 . . . . 0.0 109.753 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.81 -7.87 78.87 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -170.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.25 1.115 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.499 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.1 m -117.76 113.47 21.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.145 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt -91.46 -37.95 12.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.56 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -143.81 51.27 1.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.231 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.7 m -137.47 163.97 29.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.561 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -131.54 165.7 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.73 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 121.24 135.33 4.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.427 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.75 -170.52 54.61 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.517 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.62 169.04 19.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.05 -41.37 68.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 0.0 109.805 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.558 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 24.3 t70 -57.47 -33.68 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.01 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.67 -20.6 61.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.195 0.522 . . . . 0.0 110.532 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -88.89 -5.5 57.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.822 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.38 -61.68 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.558 ' HE3' ' OD1' ' A' ' 11' ' ' ASP . 22.0 pttp -96.07 -4.5 42.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.401 -176.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.46 165.81 39.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.89 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.7 p -106.99 131.17 54.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.345 0.117 . . . . 0.0 110.907 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.84 112.95 17.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.339 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -118.57 113.75 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.12 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 57.14 33.57 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.033 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.46 -1.87 79.87 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 113.002 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -108.22 124.98 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.828 0.346 . . . . 0.0 111.024 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 86.1 m -75.11 104.91 5.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -100.72 121.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.808 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 p -122.64 124.16 42.82 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.0 66.81 3.53 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.614 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.246 0.904 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.174 -176.67 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 46.5 tp . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.09 88.91 2.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.913 0.387 . . . . 0.0 111.494 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.31 -34.05 10.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.017 0.437 . . . . 0.0 110.619 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 t -100.61 15.44 28.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.288 0.566 . . . . 0.0 110.287 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.0 m -136.28 144.79 44.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.501 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 95.3 mtt180 -114.69 169.88 8.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.175 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.85 132.07 4.61 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.692 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.57 -176.66 50.28 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.024 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.623 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.6 t70 -97.66 -172.61 2.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.458 ' O ' HG22 ' A' ' 14' ' ' VAL . 87.0 t80 -52.73 -51.62 59.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.297 0.373 . . . . 0.0 111.523 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -58.53 -32.76 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t -71.48 -34.96 70.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.231 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.718 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.5 mtt180 -83.8 -8.01 59.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.403 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 10' ' ' TYR . 88.5 t -87.15 -52.37 11.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.857 0.36 . . . . 0.0 110.686 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -4.59 55.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -177.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.4 163.09 40.6 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.905 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 p -101.51 137.91 39.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.874 0.369 . . . . 0.0 110.508 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -83.96 94.74 8.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.89 118.66 26.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.242 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.79 37.82 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.224 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 1.4 74.34 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.674 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' A' ' 6' ' ' ARG . 4.7 tppp? -120.57 138.0 54.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.115 0.483 . . . . 0.0 110.287 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.718 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 13.8 t -83.06 118.36 23.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.292 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.1 t -102.53 99.02 7.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.812 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.2 p -110.01 56.36 0.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.29 0.567 . . . . 0.0 110.947 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.15 -34.52 5.35 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.299 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.998 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.824 0.345 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.3 m -105.42 110.0 22.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.978 0.418 . . . . 0.0 111.138 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.7 mt -104.11 -44.4 5.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -100.2 11.86 38.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.984 0.421 . . . . 0.0 111.696 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.0 m -126.68 144.15 51.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.59 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -101.67 154.26 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.076 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.23 -147.66 4.68 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.971 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.67 -106.67 1.86 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -73.8 158.93 33.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.873 -0.164 . . . . 0.0 111.188 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.6 t80 -49.1 -48.28 44.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.974 0.416 . . . . 0.0 110.638 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.21 -32.66 62.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.414 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 51.4 t -64.98 -38.98 92.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.848 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 12.5 ptm180 -92.56 5.06 52.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.887 0.375 . . . . 0.0 111.564 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 10' ' ' TYR . 95.9 t -87.39 -57.9 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 173.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -100.42 7.38 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.36 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.39 169.0 38.99 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.285 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -106.32 142.37 36.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.671 0.272 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.77 93.64 9.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.986 0.422 . . . . 0.0 109.932 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -118.84 120.52 37.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.711 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 46.3 39.91 6.96 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.33 -7.44 78.61 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.807 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -108.11 128.17 54.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.848 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 37.3 t -81.87 111.8 18.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.101 0.477 . . . . 0.0 109.84 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -101.11 99.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.557 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 6.3 p -98.71 45.49 1.01 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.791 0.805 . . . . 0.0 110.462 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.62 -158.51 20.79 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.412 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.798 179.116 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 33.3 tp . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.837 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 52.2 t -84.14 96.63 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -175.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.5 mt -110.94 -37.85 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.2 t -74.74 -6.34 48.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.066 0.46 . . . . 0.0 111.148 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.837 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 76.6 m -120.23 163.18 18.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.26 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 12.2 ptp180 -121.18 170.6 9.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.942 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.69 137.7 7.87 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.964 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.79 179.13 49.08 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.465 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.1 p-10 -86.61 178.69 6.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -53.72 -50.69 65.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.314 0.384 . . . . 0.0 111.177 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.495 ' HA ' HG11 ' A' ' 14' ' ' VAL . 30.6 t70 -61.87 -35.27 77.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 0.0 110.325 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.494 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 42.6 t -65.83 -26.0 67.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.712 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 41.0 mtp180 -91.28 -27.97 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.64 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' A' ' 11' ' ' ASP . 6.0 p -84.01 -23.71 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.699 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -101.97 -14.08 17.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.14 161.4 20.81 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.808 -0.71 . . . . 0.0 113.788 -170.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.12 145.15 26.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.967 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -83.26 94.45 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.779 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.89 113.58 20.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.177 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.82 38.09 29.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.402 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.5 4.88 89.0 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.226 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 64.2 tttm -122.25 133.78 54.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.127 0.464 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -78.29 102.36 7.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.572 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.15 106.65 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.014 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 17.6 p -105.08 68.36 0.82 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.35 0.595 . . . . 0.0 110.763 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.1 24.85 3.96 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.407 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.573 178.308 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.017 0.437 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.792 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 48.5 t -134.36 56.37 1.85 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.75 0.786 . . . . 0.0 109.124 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.49 -27.47 24.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.83 -174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 p -88.06 4.5 44.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.792 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 57.6 m -133.11 171.34 14.13 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.974 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.71 174.26 10.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.44 54.52 0.51 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.656 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.46 176.2 37.39 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.26 178.72 7.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.293 0.547 . . . . 0.0 110.101 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.23 -58.67 7.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 110.682 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.3 p30 -60.53 -28.34 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.699 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 42.7 t -66.11 -25.88 67.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.68 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.6 mtm180 -88.55 -19.86 25.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 110.383 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -81.81 -50.28 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.084 0.469 . . . . 0.0 110.135 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 20.1 pttp -103.68 35.16 2.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.389 0.614 . . . . 0.0 110.27 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 12' ' ' CYS . . . -133.74 167.67 23.51 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.332 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -121.22 142.01 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 122.333 0.253 . . . . 0.0 110.547 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.04 100.62 6.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 109.91 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -114.53 122.63 47.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.745 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.7 m120 57.8 30.36 18.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.574 0.546 . . . . 0.0 110.978 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.61 21.33 69.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.022 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -134.17 146.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.2 m -77.96 105.96 9.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -104.97 110.21 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.912 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p -108.78 84.87 2.0 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.336 0.588 . . . . 0.0 110.71 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.31 -69.25 3.37 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.046 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.475 -179.599 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.5 tp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.935 0.398 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 m -85.17 79.67 9.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -91.57 -37.03 13.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.233 -175.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.4 m -92.55 16.81 11.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.605 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.1 p -160.04 167.0 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.015 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -114.89 -176.62 2.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.84 129.96 4.79 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.038 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.7 175.67 51.0 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.349 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.605 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.1 p-10 -86.78 -179.82 6.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.74 -48.62 69.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.174 0.297 . . . . 0.0 110.942 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.41 -27.56 69.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.153 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 t -76.17 -40.6 52.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.559 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 86.3 mtt180 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.277 -174.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 p -67.13 -29.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.908 0.385 . . . . 0.0 111.428 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HZ3' ' C ' ' A' ' 27' ' ' SER . 13.8 ptmm? -130.02 23.0 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 110.92 -178.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.19 162.43 19.99 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.941 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.481 ' HG1' ' HB ' ' A' ' 24' ' ' VAL . 34.7 p -98.43 132.91 43.49 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.51 94.58 9.05 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -119.53 114.96 23.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.43 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 59.25 38.75 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.758 . . . . 0.0 110.824 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.31 10.82 85.4 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.343 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -122.24 125.06 45.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.829 0.347 . . . . 0.0 110.439 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.557 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 42.2 t -72.71 111.3 7.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.814 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.481 ' HB ' ' HG1' ' A' ' 17' ' ' THR . 42.1 t -108.82 95.33 3.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.475 -178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 7.8 p -95.9 80.38 3.34 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.417 175.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.57 -46.55 88.24 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.785 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.411 ' C ' ' HZ3' ' A' ' 15' ' ' LYS . 49.6 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 119.013 -0.518 . . . . 0.0 109.994 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 96.7 mt . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.4 m -115.18 79.75 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.093 0.473 . . . . 0.0 110.097 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -98.43 -37.89 9.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.71 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.8 m -106.95 39.45 1.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.156 0.503 . . . . 0.0 110.919 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.9 p -167.03 174.36 8.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.292 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.41 174.62 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.334 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.73 -54.6 0.68 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.767 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.35 178.53 31.64 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.589 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.564 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -86.23 -173.14 4.41 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' O ' HG21 ' A' ' 14' ' ' VAL . 81.0 t80 -50.61 -53.43 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.491 0.495 . . . . 0.0 111.306 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -55.67 -34.72 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 66.2 m -73.98 -34.05 64.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 19.6 mtp180 -76.26 -12.46 60.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.988 0.423 . . . . 0.0 110.58 -176.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.46 ' O ' HD21 ' A' ' 1' ' ' LEU . 97.5 t -95.31 -56.14 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.208 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -103.31 9.85 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.727 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.08 170.81 27.85 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.107 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -107.79 134.38 50.82 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.062 0.458 . . . . 0.0 110.841 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 1' ' ' LEU . 12.7 t -85.42 97.39 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.61 126.79 37.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -173.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 60.37 32.21 20.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.729 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.99 7.87 84.46 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.507 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -120.75 136.54 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.94 106.41 8.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.792 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.04 103.75 15.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.681 -176.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 p -112.69 77.79 1.08 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.55 0.691 . . . . 0.0 110.868 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.61 -21.23 11.59 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.946 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.254 1.299 0 CA-C-O 118.942 -0.551 . . . . 0.0 110.549 -179.49 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -69.83 91.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -102.28 -36.33 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.229 173.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 t -89.13 -1.14 57.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.553 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.1 m -124.59 144.08 50.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.113 0.482 . . . . 0.0 111.355 -175.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -112.68 173.73 6.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.522 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.0 127.59 4.54 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.881 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.24 179.06 52.37 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.452 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.7 m-20 -84.67 -177.93 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.4 t80 -56.9 -49.59 75.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.735 0.302 . . . . 0.0 110.831 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.69 -27.28 58.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.27 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -77.28 -39.32 48.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.266 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.833 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.0 mtt180 -76.32 -13.01 60.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.167 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 10' ' ' TYR . 84.3 t -86.85 -44.17 16.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.811 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -91.32 -17.29 26.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.402 . . . . 0.0 111.394 -175.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.72 163.61 51.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.167 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' HB ' ' A' ' 24' ' ' VAL . 15.4 p -97.39 130.19 44.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -77.9 96.71 5.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.58 110.46 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.586 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.82 38.08 21.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.375 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 -4.66 85.41 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.885 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -112.54 132.42 55.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.895 0.348 . . . . 0.0 110.307 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.833 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 11.0 t -82.96 110.75 18.21 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.698 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.533 ' HB ' ' OG1' ' A' ' 17' ' ' THR . 47.3 t -91.5 92.84 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.226 0.536 . . . . 0.0 110.305 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.5 p -110.29 32.64 5.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.335 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.43 21.09 59.04 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.279 -173.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.629 -0.701 . . . . 0.0 109.189 -179.071 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.027 0.441 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.644 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 36.4 m -113.5 124.77 53.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.451 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -122.52 -56.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 m -96.67 43.59 1.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.344 0.592 . . . . 0.0 110.884 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 1.7 p -155.38 154.22 31.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.627 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -90.94 146.45 23.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' HB3' ' A' ' 23' ' ' CYS . . . -162.69 -167.94 23.87 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.635 -177.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.72 -135.02 1.23 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.18 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 34.8 t70 -66.57 159.12 28.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.681 -0.259 . . . . 0.0 110.886 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 14' ' ' VAL . 91.7 t80 -47.87 -50.0 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 16.2 t70 -55.22 -36.25 65.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 12.5 t -71.19 -30.65 66.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.57 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.678 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 75.3 mtt180 -79.92 -22.13 43.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 10' ' ' TYR . 85.9 t -79.01 -49.3 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.789 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 5.7 ptpp? -94.92 7.4 46.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.334 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.24 156.04 21.59 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.681 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -93.68 131.1 39.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.852 0.358 . . . . 0.0 110.261 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.0 t -87.0 109.76 19.6 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.54 126.49 25.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 55.82 41.12 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.028 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.17 7.55 84.63 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.84 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -126.51 135.78 51.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.154 0.502 . . . . 0.0 111.188 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 16.3 t -88.14 130.08 35.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.94 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 t -120.32 103.05 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.689 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 13.0 p . . . . . 0 C--N 1.321 -0.666 0 CA-C-O 121.435 0.636 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.881 0.372 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.9 m -116.49 91.15 3.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.822 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -90.41 -61.44 1.68 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 m -85.4 -29.8 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 p -88.03 140.92 29.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.217 0.532 . . . . 0.0 111.411 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -172.15 1.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.842 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.73 36.27 1.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.54 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.24 156.64 8.07 Favored Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -75.62 179.64 5.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.673 0.236 . . . . 0.0 110.897 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -51.37 -46.42 62.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.712 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.34 -37.3 16.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.584 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 m -85.19 -29.19 24.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.604 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 49.4 mtm-85 -83.54 -24.29 31.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.845 0.355 . . . . 0.0 111.656 -172.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.62 -23.9 11.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.422 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -133.83 16.57 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.642 -0.423 . . . . 0.0 112.015 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.72 164.69 17.55 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.971 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -96.06 133.79 39.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.613 0.244 . . . . 0.0 110.644 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -85.68 96.48 9.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -122.53 124.94 44.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.484 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 64.44 19.08 11.67 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.125 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.65 10.18 70.58 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.192 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -122.44 139.66 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.877 0.37 . . . . 0.0 110.248 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 27.0 t -75.69 124.37 27.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.67 101.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.262 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.32 -0.682 0 CA-C-O 121.543 0.687 . . . . 0.0 109.753 179.288 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.1 m -117.76 113.47 21.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.145 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt -91.46 -37.95 12.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.56 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -143.81 51.27 1.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.231 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.7 m -137.47 163.97 29.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.561 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -131.54 165.7 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.73 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 121.24 135.33 4.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.427 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.75 -170.52 54.61 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.517 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.62 169.04 19.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.05 -41.37 68.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 0.0 109.805 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.569 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 24.3 t70 -57.47 -33.68 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.01 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.67 -20.6 61.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.195 0.522 . . . . 0.0 110.532 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -88.89 -5.5 57.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.822 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.38 -61.68 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HE3' ' OD1' ' A' ' 11' ' ' ASP . 22.0 pttp -96.07 -4.5 42.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.401 -176.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.46 165.81 39.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.89 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.7 p -106.99 131.17 54.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.345 0.117 . . . . 0.0 110.907 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.84 112.95 17.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.339 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -118.57 113.75 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.12 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 57.14 33.57 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.033 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.46 -1.87 79.87 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 113.002 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -108.22 124.98 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.828 0.346 . . . . 0.0 111.024 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 86.1 m -75.11 104.91 5.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -100.72 121.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.808 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -178.583 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 46.5 tp . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.09 88.91 2.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.913 0.387 . . . . 0.0 111.494 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.31 -34.05 10.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.017 0.437 . . . . 0.0 110.619 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 t -100.61 15.44 28.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.288 0.566 . . . . 0.0 110.287 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.0 m -136.28 144.79 44.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.501 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 95.3 mtt180 -114.69 169.88 8.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.175 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.85 132.07 4.61 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.692 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.57 -176.66 50.28 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.024 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.626 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.6 t70 -97.66 -172.61 2.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.0 t80 -52.73 -51.62 59.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.297 0.373 . . . . 0.0 111.523 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -58.53 -32.76 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t -71.48 -34.96 70.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.231 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.721 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.5 mtt180 -83.8 -8.01 59.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.403 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' TYR . 88.5 t -87.15 -52.37 11.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.857 0.36 . . . . 0.0 110.686 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -4.59 55.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -177.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.4 163.09 40.6 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.905 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 p -101.51 137.91 39.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.874 0.369 . . . . 0.0 110.508 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -83.96 94.74 8.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.89 118.66 26.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.242 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.8 t30 60.79 37.82 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.224 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 1.4 74.34 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.674 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HD3' ' O ' ' A' ' 6' ' ' ARG . 4.7 tppp? -120.57 138.0 54.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.115 0.483 . . . . 0.0 110.287 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 13.8 t -83.06 118.36 23.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.292 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.1 t -102.53 99.02 7.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.812 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 121.29 0.567 . . . . 0.0 110.947 -178.052 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.824 0.345 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 62.3 m -105.42 110.0 22.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.978 0.418 . . . . 0.0 111.138 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.7 mt -104.11 -44.4 5.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -100.2 11.86 38.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.984 0.421 . . . . 0.0 111.696 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.0 m -126.68 144.15 51.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.59 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -101.67 154.26 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.076 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.23 -147.66 4.68 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.971 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.67 -106.67 1.86 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -73.8 158.93 33.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.873 -0.164 . . . . 0.0 111.188 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.6 t80 -49.1 -48.28 44.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.974 0.416 . . . . 0.0 110.638 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.21 -32.66 62.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.414 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 51.4 t -64.98 -38.98 92.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.859 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 12.5 ptm180 -92.56 5.06 52.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.887 0.375 . . . . 0.0 111.564 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 10' ' ' TYR . 95.9 t -87.39 -57.9 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 173.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -100.42 7.38 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.36 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.39 169.0 38.99 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.285 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -106.32 142.37 36.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.671 0.272 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.77 93.64 9.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.986 0.422 . . . . 0.0 109.932 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -118.84 120.52 37.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.711 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 46.3 39.91 6.96 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.33 -7.44 78.61 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.807 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -108.11 128.17 54.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.859 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 37.3 t -81.87 111.8 18.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.101 0.477 . . . . 0.0 109.84 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -101.11 99.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.557 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 6.3 p . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 121.791 0.805 . . . . 0.0 110.462 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 33.3 tp . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.853 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 52.2 t -84.14 96.63 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -175.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.5 mt -110.94 -37.85 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.2 t -74.74 -6.34 48.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.066 0.46 . . . . 0.0 111.148 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.853 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 76.6 m -120.23 163.18 18.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.26 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 12.2 ptp180 -121.18 170.6 9.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.942 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.69 137.7 7.87 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.964 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.79 179.13 49.08 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.465 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.1 p-10 -86.61 178.69 6.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -53.72 -50.69 65.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.314 0.384 . . . . 0.0 111.177 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.652 ' HA ' HG12 ' A' ' 14' ' ' VAL . 30.6 t70 -61.87 -35.27 77.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 0.0 110.325 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 42.6 t -65.83 -26.0 67.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.712 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 41.0 mtp180 -91.28 -27.97 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.64 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 11' ' ' ASP . 6.0 p -84.01 -23.71 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.699 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -101.97 -14.08 17.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.14 161.4 20.81 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.808 -0.71 . . . . 0.0 113.788 -170.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.12 145.15 26.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.967 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -83.26 94.45 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.779 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.89 113.58 20.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.177 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.82 38.09 29.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.402 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.5 4.88 89.0 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.226 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 64.2 tttm -122.25 133.78 54.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.127 0.464 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -78.29 102.36 7.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.572 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.15 106.65 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.014 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 17.6 p . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 121.35 0.595 . . . . 0.0 110.763 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.017 0.437 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.808 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 48.5 t -134.36 56.37 1.85 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.75 0.786 . . . . 0.0 109.124 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.49 -27.47 24.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.83 -174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 p -88.06 4.5 44.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.808 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 57.6 m -133.11 171.34 14.13 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.974 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.71 174.26 10.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.44 54.52 0.51 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.656 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.46 176.2 37.39 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.26 178.72 7.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.293 0.547 . . . . 0.0 110.101 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.23 -58.67 7.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 110.682 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.3 p30 -60.53 -28.34 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.699 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 42.7 t -66.11 -25.88 67.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.68 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' HB3' ' A' ' 2' ' ' CYS . 23.6 mtm180 -88.55 -19.86 25.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 110.383 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -81.81 -50.28 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.084 0.469 . . . . 0.0 110.135 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 20.1 pttp -103.68 35.16 2.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.389 0.614 . . . . 0.0 110.27 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 12' ' ' CYS . . . -133.74 167.67 23.51 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.332 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -121.22 142.01 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 122.333 0.253 . . . . 0.0 110.547 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.04 100.62 6.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 109.91 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -114.53 122.63 47.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.745 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 57.8 30.36 18.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.574 0.546 . . . . 0.0 110.978 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.61 21.33 69.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.022 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -134.17 146.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.2 m -77.96 105.96 9.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -104.97 110.21 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.912 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.318 -0.795 0 CA-C-O 121.336 0.588 . . . . 0.0 110.71 -178.206 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.5 tp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.935 0.398 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 m -85.17 79.67 9.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -91.57 -37.03 13.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.233 -175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.4 m -92.55 16.81 11.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.605 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.1 p -160.04 167.0 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.015 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -114.89 -176.62 2.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.84 129.96 4.79 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.038 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.7 175.67 51.0 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.349 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.1 p-10 -86.78 -179.82 6.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.74 -48.62 69.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.174 0.297 . . . . 0.0 110.942 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.41 -27.56 69.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.153 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 t -76.17 -40.6 52.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.559 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 86.3 mtt180 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.277 -174.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 p -67.13 -29.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.908 0.385 . . . . 0.0 111.428 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -130.02 23.0 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 110.92 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.19 162.43 19.99 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.941 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -98.43 132.91 43.49 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.51 94.58 9.05 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -119.53 114.96 23.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.43 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 59.25 38.75 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.758 . . . . 0.0 110.824 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.31 10.82 85.4 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.343 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -122.24 125.06 45.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.829 0.347 . . . . 0.0 110.439 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 42.2 t -72.71 111.3 7.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.814 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.82 95.33 3.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.475 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 7.8 p . . . . . 0 C--N 1.315 -0.911 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.417 175.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 96.7 mt . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.4 m -115.18 79.75 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.093 0.473 . . . . 0.0 110.097 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -98.43 -37.89 9.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.71 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.8 m -106.95 39.45 1.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.156 0.503 . . . . 0.0 110.919 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.9 p -167.03 174.36 8.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.292 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.41 174.62 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.334 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.73 -54.6 0.68 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.767 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.35 178.53 31.64 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.589 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -86.23 -173.14 4.41 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 14' ' ' VAL . 81.0 t80 -50.61 -53.43 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.491 0.495 . . . . 0.0 111.306 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -55.67 -34.72 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 66.2 m -73.98 -34.05 64.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 19.6 mtp180 -76.26 -12.46 60.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.988 0.423 . . . . 0.0 110.58 -176.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 1' ' ' LEU . 97.5 t -95.31 -56.14 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.208 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -103.31 9.85 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.727 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.08 170.81 27.85 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.107 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -107.79 134.38 50.82 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.062 0.458 . . . . 0.0 110.841 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 1' ' ' LEU . 12.7 t -85.42 97.39 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.61 126.79 37.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -173.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 60.37 32.21 20.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.729 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.99 7.87 84.46 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.507 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -120.75 136.54 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.94 106.41 8.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.792 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.04 103.75 15.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.681 -176.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--N 1.317 -0.807 0 CA-C-O 121.55 0.691 . . . . 0.0 110.868 179.322 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -69.83 91.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -102.28 -36.33 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.229 173.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 t -89.13 -1.14 57.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.553 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.1 m -124.59 144.08 50.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.113 0.482 . . . . 0.0 111.355 -175.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -112.68 173.73 6.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.522 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.0 127.59 4.54 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.881 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.24 179.06 52.37 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.452 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.7 m-20 -84.67 -177.93 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.509 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.4 t80 -56.9 -49.59 75.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.735 0.302 . . . . 0.0 110.831 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.69 -27.28 58.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.27 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -77.28 -39.32 48.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.266 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.0 mtt180 -76.32 -13.01 60.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.167 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 10' ' ' TYR . 84.3 t -86.85 -44.17 16.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.811 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -91.32 -17.29 26.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.402 . . . . 0.0 111.394 -175.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.72 163.61 51.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.167 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB ' ' A' ' 24' ' ' VAL . 15.4 p -97.39 130.19 44.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -77.9 96.71 5.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.58 110.46 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.586 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.82 38.08 21.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.375 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 -4.66 85.41 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.885 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -112.54 132.42 55.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.895 0.348 . . . . 0.0 110.307 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.846 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 11.0 t -82.96 110.75 18.21 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.698 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.544 ' HB ' ' OG1' ' A' ' 17' ' ' THR . 47.3 t -91.5 92.84 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.226 0.536 . . . . 0.0 110.305 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.335 178.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.027 0.441 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.644 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 36.4 m -113.5 124.77 53.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.451 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -122.52 -56.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 m -96.67 43.59 1.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.344 0.592 . . . . 0.0 110.884 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 1.7 p -155.38 154.22 31.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.627 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -90.94 146.45 23.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' HB3' ' A' ' 23' ' ' CYS . . . -162.69 -167.94 23.87 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.635 -177.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.72 -135.02 1.23 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.18 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 34.8 t70 -66.57 159.12 28.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.681 -0.259 . . . . 0.0 110.886 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 14' ' ' VAL . 91.7 t80 -47.87 -50.0 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 16.2 t70 -55.22 -36.25 65.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 12.5 t -71.19 -30.65 66.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.57 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.678 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 75.3 mtt180 -79.92 -22.13 43.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 10' ' ' TYR . 85.9 t -79.01 -49.3 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.789 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 5.7 ptpp? -94.92 7.4 46.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.334 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.24 156.04 21.59 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.681 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -93.68 131.1 39.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.852 0.358 . . . . 0.0 110.261 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.0 t -87.0 109.76 19.6 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.54 126.49 25.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 55.82 41.12 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.028 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.17 7.55 84.63 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.84 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -126.51 135.78 51.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.154 0.502 . . . . 0.0 111.188 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 16.3 t -88.14 130.08 35.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.94 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 t -120.32 103.05 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.689 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 13.0 p -102.07 62.98 0.9 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.435 0.636 . . . . 0.0 110.686 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.29 -151.35 5.91 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.127 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.96 179.454 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.881 0.372 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.9 m -116.49 91.15 3.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.822 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -90.41 -61.44 1.68 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 m -85.4 -29.8 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 p -88.03 140.92 29.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.217 0.532 . . . . 0.0 111.411 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -172.15 1.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.842 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.73 36.27 1.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.54 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.24 156.64 8.07 Favored Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -75.62 179.64 5.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.673 0.236 . . . . 0.0 110.897 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -51.37 -46.42 62.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.712 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.34 -37.3 16.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.584 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 m -85.19 -29.19 24.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.604 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 49.4 mtm-85 -83.54 -24.29 31.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.845 0.355 . . . . 0.0 111.656 -172.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.62 -23.9 11.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.422 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -133.83 16.57 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.642 -0.423 . . . . 0.0 112.015 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.72 164.69 17.55 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.971 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -96.06 133.79 39.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.613 0.244 . . . . 0.0 110.644 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -85.68 96.48 9.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -122.53 124.94 44.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.484 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 64.44 19.08 11.67 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.125 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.65 10.18 70.58 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.192 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -122.44 139.66 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.877 0.37 . . . . 0.0 110.248 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 27.0 t -75.69 124.37 27.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.67 101.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.262 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.0 p -104.2 47.75 0.87 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.543 0.687 . . . . 0.0 109.753 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.81 -7.87 78.87 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -170.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.25 1.115 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.499 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.1 m -117.76 113.47 21.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.145 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt -91.46 -37.95 12.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.56 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -143.81 51.27 1.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.231 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.7 m -137.47 163.97 29.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.561 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -131.54 165.7 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.73 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 121.24 135.33 4.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.427 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.75 -170.52 54.61 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.517 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.62 169.04 19.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.05 -41.37 68.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 0.0 109.805 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.569 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 24.3 t70 -57.47 -33.68 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.01 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.67 -20.6 61.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.195 0.522 . . . . 0.0 110.532 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -88.89 -5.5 57.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.822 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.38 -61.68 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HE3' ' OD1' ' A' ' 11' ' ' ASP . 22.0 pttp -96.07 -4.5 42.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.401 -176.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.46 165.81 39.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.89 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.7 p -106.99 131.17 54.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.345 0.117 . . . . 0.0 110.907 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.84 112.95 17.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.339 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -118.57 113.75 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.12 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 57.14 33.57 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.033 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.46 -1.87 79.87 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 113.002 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -108.22 124.98 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.828 0.346 . . . . 0.0 111.024 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 86.1 m -75.11 104.91 5.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -100.72 121.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.808 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 p -122.64 124.16 42.82 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.0 66.81 3.53 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.614 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.246 0.904 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.174 -176.67 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 46.5 tp . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.09 88.91 2.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.913 0.387 . . . . 0.0 111.494 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.31 -34.05 10.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.017 0.437 . . . . 0.0 110.619 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 t -100.61 15.44 28.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.288 0.566 . . . . 0.0 110.287 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.0 m -136.28 144.79 44.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.501 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 95.3 mtt180 -114.69 169.88 8.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.175 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.85 132.07 4.61 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.692 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.57 -176.66 50.28 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.024 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.626 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.6 t70 -97.66 -172.61 2.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.0 t80 -52.73 -51.62 59.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.297 0.373 . . . . 0.0 111.523 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -58.53 -32.76 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t -71.48 -34.96 70.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.231 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.721 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.5 mtt180 -83.8 -8.01 59.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.403 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' TYR . 88.5 t -87.15 -52.37 11.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.857 0.36 . . . . 0.0 110.686 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -4.59 55.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -177.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.4 163.09 40.6 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.905 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 p -101.51 137.91 39.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.874 0.369 . . . . 0.0 110.508 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -83.96 94.74 8.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.89 118.66 26.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.242 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.8 t30 60.79 37.82 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.224 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 1.4 74.34 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.674 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HD3' ' O ' ' A' ' 6' ' ' ARG . 4.7 tppp? -120.57 138.0 54.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.115 0.483 . . . . 0.0 110.287 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 13.8 t -83.06 118.36 23.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.292 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.1 t -102.53 99.02 7.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.812 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.2 p -110.01 56.36 0.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.29 0.567 . . . . 0.0 110.947 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.15 -34.52 5.35 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.299 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.998 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.824 0.345 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 62.3 m -105.42 110.0 22.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.978 0.418 . . . . 0.0 111.138 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.7 mt -104.11 -44.4 5.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -100.2 11.86 38.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.984 0.421 . . . . 0.0 111.696 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.0 m -126.68 144.15 51.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.59 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -101.67 154.26 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.076 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.23 -147.66 4.68 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.971 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.67 -106.67 1.86 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -73.8 158.93 33.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.873 -0.164 . . . . 0.0 111.188 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.6 t80 -49.1 -48.28 44.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.974 0.416 . . . . 0.0 110.638 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.21 -32.66 62.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.414 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 51.4 t -64.98 -38.98 92.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.859 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 12.5 ptm180 -92.56 5.06 52.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.887 0.375 . . . . 0.0 111.564 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 10' ' ' TYR . 95.9 t -87.39 -57.9 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 173.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -100.42 7.38 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.36 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.39 169.0 38.99 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.285 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -106.32 142.37 36.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.671 0.272 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.77 93.64 9.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.986 0.422 . . . . 0.0 109.932 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -118.84 120.52 37.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.711 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 46.3 39.91 6.96 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.33 -7.44 78.61 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.807 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -108.11 128.17 54.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.859 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 37.3 t -81.87 111.8 18.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.101 0.477 . . . . 0.0 109.84 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -101.11 99.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.557 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 6.3 p -98.71 45.49 1.01 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.791 0.805 . . . . 0.0 110.462 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.62 -158.51 20.79 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.412 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.798 179.116 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 33.3 tp . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.853 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 52.2 t -84.14 96.63 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -175.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.5 mt -110.94 -37.85 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.2 t -74.74 -6.34 48.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.066 0.46 . . . . 0.0 111.148 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.853 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 76.6 m -120.23 163.18 18.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.26 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 12.2 ptp180 -121.18 170.6 9.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.942 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.69 137.7 7.87 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.964 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.79 179.13 49.08 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.465 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.1 p-10 -86.61 178.69 6.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -53.72 -50.69 65.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.314 0.384 . . . . 0.0 111.177 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.652 ' HA ' HG12 ' A' ' 14' ' ' VAL . 30.6 t70 -61.87 -35.27 77.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 0.0 110.325 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 42.6 t -65.83 -26.0 67.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.712 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 41.0 mtp180 -91.28 -27.97 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.64 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 11' ' ' ASP . 6.0 p -84.01 -23.71 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.699 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -101.97 -14.08 17.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.14 161.4 20.81 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.808 -0.71 . . . . 0.0 113.788 -170.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.12 145.15 26.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.967 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -83.26 94.45 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.779 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.89 113.58 20.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.177 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.82 38.09 29.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.402 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.5 4.88 89.0 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.226 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 64.2 tttm -122.25 133.78 54.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.127 0.464 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -78.29 102.36 7.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.572 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.15 106.65 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.014 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 17.6 p -105.08 68.36 0.82 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.35 0.595 . . . . 0.0 110.763 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.1 24.85 3.96 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.407 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.573 178.308 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.017 0.437 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.808 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 48.5 t -134.36 56.37 1.85 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.75 0.786 . . . . 0.0 109.124 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.49 -27.47 24.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.83 -174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 p -88.06 4.5 44.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.808 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 57.6 m -133.11 171.34 14.13 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.974 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.71 174.26 10.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.44 54.52 0.51 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.656 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.46 176.2 37.39 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.26 178.72 7.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.293 0.547 . . . . 0.0 110.101 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.23 -58.67 7.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 110.682 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.3 p30 -60.53 -28.34 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.699 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 42.7 t -66.11 -25.88 67.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.68 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' HB3' ' A' ' 2' ' ' CYS . 23.6 mtm180 -88.55 -19.86 25.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 110.383 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -81.81 -50.28 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.084 0.469 . . . . 0.0 110.135 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 20.1 pttp -103.68 35.16 2.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.389 0.614 . . . . 0.0 110.27 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 12' ' ' CYS . . . -133.74 167.67 23.51 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.332 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -121.22 142.01 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 122.333 0.253 . . . . 0.0 110.547 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.04 100.62 6.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 109.91 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -114.53 122.63 47.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.745 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 57.8 30.36 18.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.574 0.546 . . . . 0.0 110.978 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.61 21.33 69.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.022 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -134.17 146.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.2 m -77.96 105.96 9.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -104.97 110.21 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.912 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p -108.78 84.87 2.0 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.336 0.588 . . . . 0.0 110.71 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.31 -69.25 3.37 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.046 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.475 -179.599 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.5 tp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.935 0.398 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 m -85.17 79.67 9.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -91.57 -37.03 13.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.233 -175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.4 m -92.55 16.81 11.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.605 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.1 p -160.04 167.0 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.015 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -114.89 -176.62 2.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.84 129.96 4.79 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.038 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.7 175.67 51.0 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.349 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.1 p-10 -86.78 -179.82 6.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.74 -48.62 69.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.174 0.297 . . . . 0.0 110.942 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.41 -27.56 69.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.153 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 t -76.17 -40.6 52.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.559 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 86.3 mtt180 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.277 -174.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 p -67.13 -29.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.908 0.385 . . . . 0.0 111.428 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -130.02 23.0 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 110.92 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.19 162.43 19.99 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.941 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -98.43 132.91 43.49 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.51 94.58 9.05 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -119.53 114.96 23.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.43 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 59.25 38.75 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.758 . . . . 0.0 110.824 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.31 10.82 85.4 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.343 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -122.24 125.06 45.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.829 0.347 . . . . 0.0 110.439 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 42.2 t -72.71 111.3 7.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.814 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.82 95.33 3.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.475 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 7.8 p -95.9 80.38 3.34 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.417 175.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.57 -46.55 88.24 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.785 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 119.013 -0.518 . . . . 0.0 109.994 179.147 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 96.7 mt . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.4 m -115.18 79.75 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.093 0.473 . . . . 0.0 110.097 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -98.43 -37.89 9.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.71 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.8 m -106.95 39.45 1.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.156 0.503 . . . . 0.0 110.919 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.9 p -167.03 174.36 8.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.292 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.41 174.62 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.334 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.73 -54.6 0.68 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.767 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.35 178.53 31.64 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.589 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -86.23 -173.14 4.41 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 14' ' ' VAL . 81.0 t80 -50.61 -53.43 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.491 0.495 . . . . 0.0 111.306 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -55.67 -34.72 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 66.2 m -73.98 -34.05 64.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 19.6 mtp180 -76.26 -12.46 60.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.988 0.423 . . . . 0.0 110.58 -176.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 1' ' ' LEU . 97.5 t -95.31 -56.14 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.208 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -103.31 9.85 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.727 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.08 170.81 27.85 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.107 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -107.79 134.38 50.82 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.062 0.458 . . . . 0.0 110.841 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 1' ' ' LEU . 12.7 t -85.42 97.39 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.61 126.79 37.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -173.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 60.37 32.21 20.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.729 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.99 7.87 84.46 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.507 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -120.75 136.54 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.94 106.41 8.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.792 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.04 103.75 15.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.681 -176.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 p -112.69 77.79 1.08 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.55 0.691 . . . . 0.0 110.868 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.61 -21.23 11.59 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.946 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.254 1.299 0 CA-C-O 118.942 -0.551 . . . . 0.0 110.549 -179.49 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -69.83 91.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -102.28 -36.33 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.229 173.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 t -89.13 -1.14 57.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.553 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.1 m -124.59 144.08 50.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.113 0.482 . . . . 0.0 111.355 -175.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -112.68 173.73 6.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.522 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.0 127.59 4.54 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.881 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.24 179.06 52.37 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.452 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.7 m-20 -84.67 -177.93 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.4 t80 -56.9 -49.59 75.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.735 0.302 . . . . 0.0 110.831 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.69 -27.28 58.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.27 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -77.28 -39.32 48.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.266 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.0 mtt180 -76.32 -13.01 60.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.167 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 10' ' ' TYR . 84.3 t -86.85 -44.17 16.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.811 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -91.32 -17.29 26.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.402 . . . . 0.0 111.394 -175.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.72 163.61 51.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.167 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB ' ' A' ' 24' ' ' VAL . 15.4 p -97.39 130.19 44.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -77.9 96.71 5.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.58 110.46 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.586 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.82 38.08 21.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.375 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 -4.66 85.41 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.885 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -112.54 132.42 55.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.895 0.348 . . . . 0.0 110.307 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.846 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 11.0 t -82.96 110.75 18.21 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.698 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.544 ' HB ' ' OG1' ' A' ' 17' ' ' THR . 47.3 t -91.5 92.84 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.226 0.536 . . . . 0.0 110.305 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.5 p -110.29 32.64 5.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.335 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.43 21.09 59.04 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.279 -173.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.629 -0.701 . . . . 0.0 109.189 -179.071 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.027 0.441 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.644 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 36.4 m -113.5 124.77 53.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.451 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -122.52 -56.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 m -96.67 43.59 1.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.344 0.592 . . . . 0.0 110.884 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 1.7 p -155.38 154.22 31.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.627 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -90.94 146.45 23.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' HB3' ' A' ' 23' ' ' CYS . . . -162.69 -167.94 23.87 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.635 -177.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.72 -135.02 1.23 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.18 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 34.8 t70 -66.57 159.12 28.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.681 -0.259 . . . . 0.0 110.886 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 14' ' ' VAL . 91.7 t80 -47.87 -50.0 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 16.2 t70 -55.22 -36.25 65.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 12.5 t -71.19 -30.65 66.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.57 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.678 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 75.3 mtt180 -79.92 -22.13 43.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 10' ' ' TYR . 85.9 t -79.01 -49.3 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.789 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 5.7 ptpp? -94.92 7.4 46.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.334 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.24 156.04 21.59 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.681 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -93.68 131.1 39.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.852 0.358 . . . . 0.0 110.261 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.0 t -87.0 109.76 19.6 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.54 126.49 25.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 55.82 41.12 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.028 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.17 7.55 84.63 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.84 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -126.51 135.78 51.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.154 0.502 . . . . 0.0 111.188 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 16.3 t -88.14 130.08 35.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.94 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 t -120.32 103.05 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.689 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 13.0 p . . . . . 0 C--N 1.321 -0.666 0 CA-C-O 121.435 0.636 . . . . 0.0 110.686 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.881 0.372 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.9 m -116.49 91.15 3.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.822 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -90.41 -61.44 1.68 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 m -85.4 -29.8 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 p -88.03 140.92 29.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.217 0.532 . . . . 0.0 111.411 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -172.15 1.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.842 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.73 36.27 1.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.54 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.24 156.64 8.07 Favored Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -75.62 179.64 5.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.673 0.236 . . . . 0.0 110.897 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -51.37 -46.42 62.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.712 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.34 -37.3 16.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.584 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 m -85.19 -29.19 24.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.604 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 49.4 mtm-85 -83.54 -24.29 31.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.845 0.355 . . . . 0.0 111.656 -172.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.62 -23.9 11.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.422 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -133.83 16.57 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.642 -0.423 . . . . 0.0 112.015 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.72 164.69 17.55 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.971 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -96.06 133.79 39.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.613 0.244 . . . . 0.0 110.644 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -85.68 96.48 9.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -122.53 124.94 44.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.484 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 64.44 19.08 11.67 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.125 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.65 10.18 70.58 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.192 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -122.44 139.66 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.877 0.37 . . . . 0.0 110.248 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 27.0 t -75.69 124.37 27.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.67 101.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.262 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.32 -0.682 0 CA-C-O 121.543 0.687 . . . . 0.0 109.753 179.288 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.1 m -117.76 113.47 21.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.145 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt -91.46 -37.95 12.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.56 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -143.81 51.27 1.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.231 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.7 m -137.47 163.97 29.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.561 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -131.54 165.7 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.73 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 121.24 135.33 4.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.427 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.75 -170.52 54.61 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.517 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.62 169.04 19.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.05 -41.37 68.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 0.0 109.805 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.569 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 24.3 t70 -57.47 -33.68 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.01 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.67 -20.6 61.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.195 0.522 . . . . 0.0 110.532 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -88.89 -5.5 57.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.822 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.38 -61.68 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HE3' ' OD1' ' A' ' 11' ' ' ASP . 22.0 pttp -96.07 -4.5 42.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.401 -176.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.46 165.81 39.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.89 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.7 p -106.99 131.17 54.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.345 0.117 . . . . 0.0 110.907 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.84 112.95 17.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.339 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -118.57 113.75 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.12 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 57.14 33.57 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.033 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.46 -1.87 79.87 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 113.002 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -108.22 124.98 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.828 0.346 . . . . 0.0 111.024 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 86.1 m -75.11 104.91 5.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -100.72 121.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.808 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -178.583 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 46.5 tp . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.09 88.91 2.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.913 0.387 . . . . 0.0 111.494 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.31 -34.05 10.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.017 0.437 . . . . 0.0 110.619 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 t -100.61 15.44 28.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.288 0.566 . . . . 0.0 110.287 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.0 m -136.28 144.79 44.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.501 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 95.3 mtt180 -114.69 169.88 8.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.175 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.85 132.07 4.61 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.692 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.57 -176.66 50.28 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.024 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.626 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.6 t70 -97.66 -172.61 2.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.0 t80 -52.73 -51.62 59.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.297 0.373 . . . . 0.0 111.523 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -58.53 -32.76 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t -71.48 -34.96 70.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.231 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.721 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.5 mtt180 -83.8 -8.01 59.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.403 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' TYR . 88.5 t -87.15 -52.37 11.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.857 0.36 . . . . 0.0 110.686 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -4.59 55.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -177.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.4 163.09 40.6 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.905 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 p -101.51 137.91 39.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.874 0.369 . . . . 0.0 110.508 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -83.96 94.74 8.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.89 118.66 26.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.242 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.79 37.82 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.224 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 1.4 74.34 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.674 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HD3' ' O ' ' A' ' 6' ' ' ARG . 4.7 tppp? -120.57 138.0 54.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.115 0.483 . . . . 0.0 110.287 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 13.8 t -83.06 118.36 23.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.292 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.1 t -102.53 99.02 7.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.812 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.32 -0.716 0 CA-C-O 121.29 0.567 . . . . 0.0 110.947 -178.052 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.824 0.345 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 62.3 m -105.42 110.0 22.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.978 0.418 . . . . 0.0 111.138 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.7 mt -104.11 -44.4 5.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -100.2 11.86 38.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.984 0.421 . . . . 0.0 111.696 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.0 m -126.68 144.15 51.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.59 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -101.67 154.26 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.076 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.23 -147.66 4.68 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.971 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.67 -106.67 1.86 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -73.8 158.93 33.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.873 -0.164 . . . . 0.0 111.188 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.6 t80 -49.1 -48.28 44.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.974 0.416 . . . . 0.0 110.638 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.21 -32.66 62.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.414 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 51.4 t -64.98 -38.98 92.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.859 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 12.5 ptm180 -92.56 5.06 52.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.887 0.375 . . . . 0.0 111.564 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 10' ' ' TYR . 95.9 t -87.39 -57.9 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 173.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -100.42 7.38 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.36 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.39 169.0 38.99 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.285 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -106.32 142.37 36.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.671 0.272 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.77 93.64 9.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.986 0.422 . . . . 0.0 109.932 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -118.84 120.52 37.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.711 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 46.3 39.91 6.96 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.33 -7.44 78.61 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.807 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -108.11 128.17 54.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.859 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 37.3 t -81.87 111.8 18.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.101 0.477 . . . . 0.0 109.84 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -101.11 99.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.557 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 6.3 p . . . . . 0 C--N 1.321 -0.632 0 CA-C-O 121.791 0.805 . . . . 0.0 110.462 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 33.3 tp . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.853 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 52.2 t -84.14 96.63 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -175.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.5 mt -110.94 -37.85 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.2 t -74.74 -6.34 48.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.066 0.46 . . . . 0.0 111.148 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.853 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 76.6 m -120.23 163.18 18.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.26 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 12.2 ptp180 -121.18 170.6 9.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.942 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.69 137.7 7.87 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.964 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.79 179.13 49.08 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.465 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.1 p-10 -86.61 178.69 6.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -53.72 -50.69 65.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.314 0.384 . . . . 0.0 111.177 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.652 ' HA ' HG12 ' A' ' 14' ' ' VAL . 30.6 t70 -61.87 -35.27 77.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 0.0 110.325 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 42.6 t -65.83 -26.0 67.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.712 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 41.0 mtp180 -91.28 -27.97 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.64 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 11' ' ' ASP . 6.0 p -84.01 -23.71 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.699 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -101.97 -14.08 17.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.14 161.4 20.81 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.808 -0.71 . . . . 0.0 113.788 -170.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.12 145.15 26.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.967 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -83.26 94.45 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.779 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.89 113.58 20.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.177 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.82 38.09 29.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.402 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.5 4.88 89.0 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.226 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 64.2 tttm -122.25 133.78 54.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.127 0.464 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -78.29 102.36 7.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.572 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.15 106.65 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.014 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 17.6 p . . . . . 0 C--N 1.319 -0.724 0 CA-C-O 121.35 0.595 . . . . 0.0 110.763 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.017 0.437 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.808 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 48.5 t -134.36 56.37 1.85 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.75 0.786 . . . . 0.0 109.124 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.49 -27.47 24.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.83 -174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 p -88.06 4.5 44.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.808 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 57.6 m -133.11 171.34 14.13 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.974 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.71 174.26 10.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.44 54.52 0.51 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.656 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.46 176.2 37.39 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.26 178.72 7.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.293 0.547 . . . . 0.0 110.101 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.23 -58.67 7.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 110.682 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.3 p30 -60.53 -28.34 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.699 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 42.7 t -66.11 -25.88 67.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.68 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' HB3' ' A' ' 2' ' ' CYS . 23.6 mtm180 -88.55 -19.86 25.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 110.383 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -81.81 -50.28 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.084 0.469 . . . . 0.0 110.135 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 20.1 pttp -103.68 35.16 2.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.389 0.614 . . . . 0.0 110.27 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 12' ' ' CYS . . . -133.74 167.67 23.51 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.332 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -121.22 142.01 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 122.333 0.253 . . . . 0.0 110.547 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.04 100.62 6.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 109.91 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -114.53 122.63 47.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.745 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.7 m120 57.8 30.36 18.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.574 0.546 . . . . 0.0 110.978 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.61 21.33 69.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.022 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -134.17 146.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.2 m -77.96 105.96 9.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -104.97 110.21 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.912 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.318 -0.795 0 CA-C-O 121.336 0.588 . . . . 0.0 110.71 -178.206 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.5 tp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.935 0.398 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 m -85.17 79.67 9.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -91.57 -37.03 13.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.233 -175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.4 m -92.55 16.81 11.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.605 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.1 p -160.04 167.0 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.015 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -114.89 -176.62 2.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.84 129.96 4.79 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.038 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.7 175.67 51.0 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.349 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.1 p-10 -86.78 -179.82 6.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.74 -48.62 69.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.174 0.297 . . . . 0.0 110.942 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.41 -27.56 69.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.153 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 t -76.17 -40.6 52.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.559 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 86.3 mtt180 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.277 -174.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 p -67.13 -29.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.908 0.385 . . . . 0.0 111.428 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -130.02 23.0 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 110.92 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.19 162.43 19.99 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.941 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -98.43 132.91 43.49 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.51 94.58 9.05 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -119.53 114.96 23.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.43 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 59.25 38.75 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.758 . . . . 0.0 110.824 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.31 10.82 85.4 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.343 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -122.24 125.06 45.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.829 0.347 . . . . 0.0 110.439 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 42.2 t -72.71 111.3 7.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.814 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.82 95.33 3.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.475 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 7.8 p . . . . . 0 C--N 1.315 -0.911 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.417 175.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 96.7 mt . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.4 m -115.18 79.75 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.093 0.473 . . . . 0.0 110.097 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -98.43 -37.89 9.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.71 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.8 m -106.95 39.45 1.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.156 0.503 . . . . 0.0 110.919 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.9 p -167.03 174.36 8.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.292 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.41 174.62 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.334 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.73 -54.6 0.68 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.767 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.35 178.53 31.64 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.589 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -86.23 -173.14 4.41 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 14' ' ' VAL . 81.0 t80 -50.61 -53.43 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.491 0.495 . . . . 0.0 111.306 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -55.67 -34.72 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 66.2 m -73.98 -34.05 64.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 19.6 mtp180 -76.26 -12.46 60.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.988 0.423 . . . . 0.0 110.58 -176.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 1' ' ' LEU . 97.5 t -95.31 -56.14 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.208 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -103.31 9.85 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.727 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.08 170.81 27.85 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.107 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -107.79 134.38 50.82 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.062 0.458 . . . . 0.0 110.841 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 1' ' ' LEU . 12.7 t -85.42 97.39 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.61 126.79 37.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -173.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 60.37 32.21 20.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.729 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.99 7.87 84.46 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.507 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -120.75 136.54 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.94 106.41 8.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.792 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.04 103.75 15.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.681 -176.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--N 1.317 -0.807 0 CA-C-O 121.55 0.691 . . . . 0.0 110.868 179.322 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -69.83 91.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -102.28 -36.33 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.229 173.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 t -89.13 -1.14 57.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.553 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.1 m -124.59 144.08 50.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.113 0.482 . . . . 0.0 111.355 -175.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -112.68 173.73 6.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.522 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.0 127.59 4.54 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.881 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.24 179.06 52.37 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.452 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.7 m-20 -84.67 -177.93 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.509 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.4 t80 -56.9 -49.59 75.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.735 0.302 . . . . 0.0 110.831 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.69 -27.28 58.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.27 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -77.28 -39.32 48.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.266 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.0 mtt180 -76.32 -13.01 60.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.167 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 10' ' ' TYR . 84.3 t -86.85 -44.17 16.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.811 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -91.32 -17.29 26.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.402 . . . . 0.0 111.394 -175.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.72 163.61 51.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.167 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB ' ' A' ' 24' ' ' VAL . 15.4 p -97.39 130.19 44.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -77.9 96.71 5.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.58 110.46 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.586 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.82 38.08 21.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.375 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 -4.66 85.41 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.885 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -112.54 132.42 55.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.895 0.348 . . . . 0.0 110.307 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.846 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 11.0 t -82.96 110.75 18.21 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.698 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.544 ' HB ' ' OG1' ' A' ' 17' ' ' THR . 47.3 t -91.5 92.84 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.226 0.536 . . . . 0.0 110.305 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.335 178.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 58.4 tp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.027 0.441 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.644 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 36.4 m -113.5 124.77 53.18 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.451 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -122.52 -56.07 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.5 m -96.67 43.59 1.07 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.344 0.592 . . . . 0.0 110.884 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 2' ' ' CYS . 1.7 p -155.38 154.22 31.65 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.627 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -90.94 146.45 23.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.103 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' HA3' ' HB3' ' A' ' 23' ' ' CYS . . . -162.69 -167.94 23.87 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.635 -177.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.72 -135.02 1.23 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.165 -0.541 . . . . 0.0 113.18 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 34.8 t70 -66.57 159.12 28.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.681 -0.259 . . . . 0.0 110.886 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.456 ' O ' HG23 ' A' ' 14' ' ' VAL . 91.7 t80 -47.87 -50.0 27.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 178.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 16.2 t70 -55.22 -36.25 65.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.777 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 12.5 t -71.19 -30.65 66.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.57 178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.678 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 75.3 mtt180 -79.92 -22.13 43.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.527 -178.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 10' ' ' TYR . 85.9 t -79.01 -49.3 20.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.789 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 5.7 ptpp? -94.92 7.4 46.13 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.334 -177.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.24 156.04 21.59 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.681 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 p -93.68 131.1 39.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.852 0.358 . . . . 0.0 110.261 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.0 t -87.0 109.76 19.6 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.372 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.54 126.49 25.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m120 55.82 41.12 30.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.028 172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.17 7.55 84.63 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.84 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -126.51 135.78 51.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.154 0.502 . . . . 0.0 111.188 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 16.3 t -88.14 130.08 35.14 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.94 176.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 t -120.32 103.05 13.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.689 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 13.0 p -102.07 62.98 0.9 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.435 0.636 . . . . 0.0 110.686 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -156.29 -151.35 5.91 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.127 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.515 -0.755 . . . . 0.0 109.96 179.454 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.881 0.372 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.9 m -116.49 91.15 3.5 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.822 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.0 mp -90.41 -61.44 1.68 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.696 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.8 m -85.4 -29.8 24.11 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.904 0.383 . . . . 0.0 110.93 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.0 p -88.03 140.92 29.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.217 0.532 . . . . 0.0 111.411 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.67 -172.15 1.97 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.842 178.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.73 36.27 1.18 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.54 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.24 156.64 8.07 Favored Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -75.62 179.64 5.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.673 0.236 . . . . 0.0 110.897 -177.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -51.37 -46.42 62.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.712 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -48.34 -37.3 16.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.584 177.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.5 m -85.19 -29.19 24.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.604 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 49.4 mtm-85 -83.54 -24.29 31.69 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.845 0.355 . . . . 0.0 111.656 -172.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.62 -23.9 11.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.422 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -133.83 16.57 3.9 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.642 -0.423 . . . . 0.0 112.015 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -101.72 164.69 17.55 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.971 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.2 p -96.06 133.79 39.89 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.613 0.244 . . . . 0.0 110.644 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 t -85.68 96.48 9.71 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -122.53 124.94 44.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.484 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 64.44 19.08 11.67 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.125 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 87.65 10.18 70.58 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.192 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -122.44 139.66 53.6 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.877 0.37 . . . . 0.0 110.248 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.403 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 27.0 t -75.69 124.37 27.13 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.67 101.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.262 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.0 p -104.2 47.75 0.87 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.543 0.687 . . . . 0.0 109.753 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.81 -7.87 78.87 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 -170.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--O 1.25 1.115 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 177.499 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.911 0.386 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.1 m -117.76 113.47 21.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.145 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.7 mt -91.46 -37.95 12.86 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.56 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -143.81 51.27 1.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.231 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 23.7 m -137.47 163.97 29.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.561 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -131.54 165.7 23.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.73 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 23' ' ' CYS . . . 121.24 135.33 4.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.427 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.75 -170.52 54.61 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.517 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.62 169.04 19.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -54.05 -41.37 68.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.163 0.506 . . . . 0.0 109.805 174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.569 ' OD1' ' HE3' ' A' ' 15' ' ' LYS . 24.3 t70 -57.47 -33.68 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.01 178.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.4 m -72.67 -20.6 61.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.195 0.522 . . . . 0.0 110.532 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.2 mtt180 -88.89 -5.5 57.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.822 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -102.38 -61.68 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.675 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HE3' ' OD1' ' A' ' 11' ' ' ASP . 22.0 pttp -96.07 -4.5 42.85 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.345 -0.542 . . . . 0.0 111.401 -176.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.46 165.81 39.32 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.89 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 32.7 p -106.99 131.17 54.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.345 0.117 . . . . 0.0 110.907 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -79.84 112.95 17.62 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.237 0.542 . . . . 0.0 110.339 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -118.57 113.75 21.75 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.12 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 57.14 33.57 23.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.033 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.46 -1.87 79.87 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.859 -0.609 . . . . 0.0 113.002 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -108.22 124.98 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.828 0.346 . . . . 0.0 111.024 -176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 7' ' ' GLY . 86.1 m -75.11 104.91 5.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.274 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.8 t -100.72 121.75 51.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.808 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.1 p -122.64 124.16 42.82 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.189 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -80.0 66.81 3.53 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.048 -0.596 . . . . 0.0 111.614 176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.246 0.904 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.174 -176.67 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 46.5 tp . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.9 m -112.09 88.91 2.92 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.913 0.387 . . . . 0.0 111.494 -177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.4 mt -99.31 -34.05 10.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.017 0.437 . . . . 0.0 110.619 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.3 t -100.61 15.44 28.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.288 0.566 . . . . 0.0 110.287 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.0 m -136.28 144.79 44.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.501 -178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 22' ' ' LYS . 95.3 mtt180 -114.69 169.88 8.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.175 -178.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.85 132.07 4.61 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.692 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.57 -176.66 50.28 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.024 -178.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.626 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.6 t70 -97.66 -172.61 2.43 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.0 t80 -52.73 -51.62 59.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.297 0.373 . . . . 0.0 111.523 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -58.53 -32.76 69.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.7 t -71.48 -34.96 70.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 110.231 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.721 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 67.5 mtt180 -83.8 -8.01 59.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.403 -173.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 10' ' ' TYR . 88.5 t -87.15 -52.37 11.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.857 0.36 . . . . 0.0 110.686 177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.56 -4.59 55.21 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.33 -177.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.4 163.09 40.6 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.905 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.5 p -101.51 137.91 39.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.874 0.369 . . . . 0.0 110.508 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.9 t -83.96 94.74 8.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -124.89 118.66 26.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.242 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 60.79 37.82 18.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.224 173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 1.4 74.34 Favored Glycine 0 N--CA 1.452 -0.284 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.674 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.492 ' HD3' ' O ' ' A' ' 6' ' ' ARG . 4.7 tppp? -120.57 138.0 54.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.115 0.483 . . . . 0.0 110.287 -177.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.721 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 13.8 t -83.06 118.36 23.48 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.292 177.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.1 t -102.53 99.02 7.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.812 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.2 p -110.01 56.36 0.63 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.29 0.567 . . . . 0.0 110.947 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.15 -34.52 5.35 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.299 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.998 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 50.3 tp . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.824 0.345 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 62.3 m -105.42 110.0 22.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.978 0.418 . . . . 0.0 111.138 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.7 mt -104.11 -44.4 5.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 177.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.7 m -100.2 11.86 38.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.984 0.421 . . . . 0.0 111.696 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 89.0 m -126.68 144.15 51.01 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.59 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -101.67 154.26 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.076 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.23 -147.66 4.68 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.971 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -93.67 -106.67 1.86 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.279 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -73.8 158.93 33.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.873 -0.164 . . . . 0.0 111.188 -176.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' HG23 ' A' ' 14' ' ' VAL . 86.6 t80 -49.1 -48.28 44.55 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.974 0.416 . . . . 0.0 110.638 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.21 -32.66 62.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.414 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 51.4 t -64.98 -38.98 92.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.595 -179.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.859 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 12.5 ptm180 -92.56 5.06 52.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.887 0.375 . . . . 0.0 111.564 -174.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 10' ' ' TYR . 95.9 t -87.39 -57.9 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 173.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -100.42 7.38 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.36 -176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.39 169.0 38.99 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.285 178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 p -106.32 142.37 36.11 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.671 0.272 . . . . 0.0 110.99 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -87.77 93.64 9.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.986 0.422 . . . . 0.0 109.932 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -118.84 120.52 37.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.711 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 46.3 39.91 6.96 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.803 0.841 . . . . 0.0 112.989 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.33 -7.44 78.61 Favored Glycine 0 C--N 1.329 0.157 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.807 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -108.11 128.17 54.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.859 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 37.3 t -81.87 111.8 18.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.101 0.477 . . . . 0.0 109.84 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 44.9 t -101.11 99.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.557 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 6.3 p -98.71 45.49 1.01 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.791 0.805 . . . . 0.0 110.462 178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.62 -158.51 20.79 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.412 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.798 179.116 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 33.3 tp . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.853 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 52.2 t -84.14 96.63 8.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -175.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.5 mt -110.94 -37.85 5.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.2 t -74.74 -6.34 48.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.066 0.46 . . . . 0.0 111.148 -178.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.853 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 76.6 m -120.23 163.18 18.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.26 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 12.2 ptp180 -121.18 170.6 9.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.942 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.69 137.7 7.87 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.964 174.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.79 179.13 49.08 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.465 177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.597 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 4.1 p-10 -86.61 178.69 6.98 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -53.72 -50.69 65.36 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.314 0.384 . . . . 0.0 111.177 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.652 ' HA ' HG12 ' A' ' 14' ' ' VAL . 30.6 t70 -61.87 -35.27 77.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 0.0 110.325 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.5 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 42.6 t -65.83 -26.0 67.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.712 178.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 41.0 mtp180 -91.28 -27.97 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.64 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.652 HG12 ' HA ' ' A' ' 11' ' ' ASP . 6.0 p -84.01 -23.71 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.121 0.486 . . . . 0.0 110.699 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -101.97 -14.08 17.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.679 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.14 161.4 20.81 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.808 -0.71 . . . . 0.0 113.788 -170.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.12 145.15 26.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.967 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.7 t -83.26 94.45 7.91 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.779 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.89 113.58 20.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.177 -176.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 66.4 t30 56.82 38.09 29.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.402 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.5 4.88 89.0 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.732 -0.747 . . . . 0.0 113.226 177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 6' ' ' ARG . 64.2 tttm -122.25 133.78 54.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.127 0.464 . . . . 0.0 110.799 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 72.3 m -78.29 102.36 7.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.572 173.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -94.15 106.65 18.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.014 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 17.6 p -105.08 68.36 0.82 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.35 0.595 . . . . 0.0 110.763 -177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.1 24.85 3.96 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.407 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.573 178.308 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.017 0.437 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.808 ' SG ' ' HB2' ' A' ' 5' ' ' CYS . 48.5 t -134.36 56.37 1.85 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.75 0.786 . . . . 0.0 109.124 177.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.5 mt -86.49 -27.47 24.03 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.83 -174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 p -88.06 4.5 44.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.284 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.808 ' HB2' ' SG ' ' A' ' 2' ' ' CYS . 57.6 m -133.11 171.34 14.13 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.974 -176.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.71 174.26 10.49 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.44 54.52 0.51 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.656 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.46 176.2 37.39 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.26 178.72 7.95 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 117.293 0.547 . . . . 0.0 110.101 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -57.23 -58.67 7.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.938 0.399 . . . . 0.0 110.682 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 3.3 p30 -60.53 -28.34 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.699 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 42.7 t -66.11 -25.88 67.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.68 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' ' HB3' ' A' ' 2' ' ' CYS . 23.6 mtm180 -88.55 -19.86 25.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 110.383 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.0 t -81.81 -50.28 16.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.084 0.469 . . . . 0.0 110.135 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' ASP . 20.1 pttp -103.68 35.16 2.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.389 0.614 . . . . 0.0 110.27 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 12' ' ' CYS . . . -133.74 167.67 23.51 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.332 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.7 p -121.22 142.01 50.32 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 122.333 0.253 . . . . 0.0 110.547 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.7 t -78.04 100.62 6.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 109.91 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -114.53 122.63 47.16 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.745 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.7 m120 57.8 30.36 18.89 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.574 0.546 . . . . 0.0 110.978 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.61 21.33 69.45 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.977 -0.63 . . . . 0.0 113.022 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -134.17 146.5 50.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 81.2 m -77.96 105.96 9.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.9 t -104.97 110.21 30.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.912 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.7 p -108.78 84.87 2.0 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.336 0.588 . . . . 0.0 110.71 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.31 -69.25 3.37 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.046 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.418 -0.801 . . . . 0.0 109.475 -179.599 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 13' ' ' ARG . 56.5 tp . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.935 0.398 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 45.2 m -85.17 79.67 9.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.245 0.545 . . . . 0.0 110.135 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 28.8 tp -91.57 -37.03 13.35 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.233 -175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.4 m -92.55 16.81 11.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.839 0.352 . . . . 0.0 111.605 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.1 p -160.04 167.0 28.85 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.829 0.347 . . . . 0.0 111.015 -176.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -114.89 -176.62 2.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.84 129.96 4.79 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.038 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.7 175.67 51.0 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.349 178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.609 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.1 p-10 -86.78 -179.82 6.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.74 -48.62 69.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.174 0.297 . . . . 0.0 110.942 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.41 -27.56 69.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.153 -177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' O ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 t -76.17 -40.6 52.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.014 0.435 . . . . 0.0 110.559 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 86.3 mtt180 -77.66 -30.98 52.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.277 -174.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.1 p -67.13 -29.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.908 0.385 . . . . 0.0 111.428 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -130.02 23.0 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.16 0.505 . . . . 0.0 110.92 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -99.19 162.43 19.99 Favored Glycine 0 N--CA 1.441 -0.998 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.941 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.7 p -98.43 132.91 43.49 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.51 94.58 9.05 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -119.53 114.96 23.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.43 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 59.25 38.75 23.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.691 0.758 . . . . 0.0 110.824 175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.31 10.82 85.4 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.343 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -122.24 125.06 45.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.829 0.347 . . . . 0.0 110.439 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 42.2 t -72.71 111.3 7.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.814 174.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.1 t -108.82 95.33 3.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.475 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 12' ' ' CYS . 7.8 p -95.9 80.38 3.34 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.417 175.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -56.57 -46.55 88.24 Favored Glycine 0 C--N 1.33 0.216 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.785 -175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--O 1.247 0.956 0 CA-C-O 119.013 -0.518 . . . . 0.0 109.994 179.147 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.487 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 96.7 mt . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.4 m -115.18 79.75 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.093 0.473 . . . . 0.0 110.097 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 77.3 mt -98.43 -37.89 9.42 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.71 -179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.8 m -106.95 39.45 1.86 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.156 0.503 . . . . 0.0 110.919 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.9 p -167.03 174.36 8.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.292 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.41 174.62 10.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.334 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.73 -54.6 0.68 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.767 176.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.35 178.53 31.64 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.589 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 29.1 m-20 -86.23 -173.14 4.41 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' O ' HG23 ' A' ' 14' ' ' VAL . 81.0 t80 -50.61 -53.43 30.74 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 123.491 0.495 . . . . 0.0 111.306 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -55.67 -34.72 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.812 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 66.2 m -73.98 -34.05 64.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.955 178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 9' ' ' ASP . 19.6 mtp180 -76.26 -12.46 60.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.988 0.423 . . . . 0.0 110.58 -176.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' O ' HD23 ' A' ' 1' ' ' LEU . 97.5 t -95.31 -56.14 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.208 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -103.31 9.85 37.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.727 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.08 170.81 27.85 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.107 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -107.79 134.38 50.82 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.062 0.458 . . . . 0.0 110.841 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 1' ' ' LEU . 12.7 t -85.42 97.39 9.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -130.61 126.79 37.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.357 -173.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 60.37 32.21 20.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.729 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.99 7.87 84.46 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.507 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -120.75 136.54 54.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.94 106.41 8.6 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.792 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -100.04 103.75 15.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.681 -176.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.0 p -112.69 77.79 1.08 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.55 0.691 . . . . 0.0 110.868 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.61 -21.23 11.59 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.946 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 C--O 1.254 1.299 0 CA-C-O 118.942 -0.551 . . . . 0.0 110.549 -179.49 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -69.83 91.59 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -172.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -102.28 -36.33 8.52 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.229 173.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.9 t -89.13 -1.14 57.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.553 178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 98.1 m -124.59 144.08 50.35 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.113 0.482 . . . . 0.0 111.355 -175.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -112.68 173.73 6.24 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.522 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.0 127.59 4.54 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.881 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.24 179.06 52.37 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.452 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.561 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 25.7 m-20 -84.67 -177.93 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' O ' HG23 ' A' ' 14' ' ' VAL . 87.4 t80 -56.9 -49.59 75.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.735 0.302 . . . . 0.0 110.831 -178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -56.69 -27.28 58.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.27 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.5 t -77.28 -39.32 48.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.266 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 71.0 mtt180 -76.32 -13.01 60.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.167 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 10' ' ' TYR . 84.3 t -86.85 -44.17 16.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.811 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -91.32 -17.29 26.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.943 0.402 . . . . 0.0 111.394 -175.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.72 163.61 51.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.167 -174.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' HB ' ' A' ' 24' ' ' VAL . 15.4 p -97.39 130.19 44.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.3 t -77.9 96.71 5.08 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.58 110.46 13.86 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.586 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 59.82 38.08 21.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.375 173.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.58 -4.66 85.41 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.885 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -112.54 132.42 55.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.895 0.348 . . . . 0.0 110.307 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.846 ' SG ' ' HA ' ' A' ' 13' ' ' ARG . 11.0 t -82.96 110.75 18.21 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.698 175.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.544 ' HB ' ' OG1' ' A' ' 17' ' ' THR . 47.3 t -91.5 92.84 4.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 121.226 0.536 . . . . 0.0 110.305 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 26.5 p -110.29 32.64 5.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.335 178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.43 21.09 59.04 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.279 -173.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.629 -0.701 . . . . 0.0 109.189 -179.071 . . . . . . . . 0 0 . 1 stop_ save_