data_6g4u_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 6g4u _Structure_validation_residue.Date_analyzed 2019-10-11 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 ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 CA--C 1.517 -0.334 0 CA-C-O 119.166 -0.431 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -66.42 -39.94 85.33 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 119.207 0.912 . . . . 0.0 111.975 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.377 1.071 . . . . 0.0 112.413 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.86 99.74 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.438 -1.414 . . . . 0.0 113.274 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.9 t -62.96 -44.97 94.59 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.88 -1.138 . . . . 0.0 113.794 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.31 -34.93 75.42 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.911 -1.743 . . . . 0.0 112.877 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.08 97.9 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.684 -1.26 . . . . 0.0 113.389 172.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.9 97.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.28 3.5 0.08 Allowed 'General case' 0 C--N 1.349 0.545 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.0 18.61 45.84 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-O 115.031 -3.094 . . . . 0.0 119.04 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.19 -22.32 19.25 Favored 'Trans proline' 0 CA--C 1.514 -0.478 1 CA-C-N 128.567 6.184 . . . . 0.0 112.051 -161.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.68 -45.1 88.1 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 123.805 0.842 . . . . 0.0 113.12 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -39.8 68.08 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.986 171.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -61.08 -42.26 98.16 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.354 -1.466 . . . . 0.0 113.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.419 -1.426 . . . . 0.0 114.619 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.263 3.5 pp -71.69 -44.15 64.71 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.986 -1.696 . . . . 0.0 113.072 175.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.22 -42.75 97.6 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 C-N-CA 124.24 1.016 . . . . 0.0 112.768 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 p -95.84 17.38 15.3 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.943 -1.723 . . . . 0.0 112.137 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.312 38.9 tptt 48.73 58.33 5.4 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 128.427 2.691 . . . . 0.0 115.699 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -119.86 -0.95 10.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.318 -1.489 . . . . 0.0 110.676 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.457 -1.402 . . . . 0.0 110.064 166.859 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--O 1.231 0.14 0 N-CA-C 113.11 0.389 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -64.66 -38.67 83.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 124.122 0.969 . . . . 0.0 112.419 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.57 -44.54 93.8 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.307 1.443 . . . . 0.0 112.004 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.13 99.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.744 -1.223 . . . . 0.0 113.046 173.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.3 -48.31 80.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.87 -35.66 80.53 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 119.833 -1.792 . . . . 0.0 113.033 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.26 97.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.774 -1.203 . . . . 0.0 113.442 173.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.97 88.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.904 -1.122 . . . . 0.0 113.449 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.28 -41.05 97.08 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 7.18 0.13 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.32 20.27 35.46 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 115.215 -2.992 . . . . 0.0 118.211 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.99 -29.69 14.67 Favored 'Trans proline' 0 CA--C 1.513 -0.528 1 CA-C-N 128.308 6.054 . . . . 0.0 112.786 -157.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.51 -43.03 91.34 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.37 -40.08 81.57 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.662 -1.274 . . . . 0.0 112.267 173.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -61.8 -39.2 90.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.611 -1.306 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.94 -43.76 94.77 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.84 1.656 . . . . 0.0 113.158 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.94 -52.25 38.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.993 -1.067 . . . . 0.0 113.311 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.24 -41.91 94.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 C-N-CA 125.23 1.412 . . . . 0.0 112.796 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -93.46 8.79 39.2 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.958 -1.714 . . . . 0.0 111.894 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.265 0.6 OUTLIER 78.28 23.44 0.7 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.948 1.699 . . . . 0.0 114.419 164.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -44.07 70.68 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.047 -2.283 . . . . 0.0 111.548 170.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.238 0.485 0 O-C-N 120.564 -1.335 . . . . 0.0 113.525 -172.723 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 N--CA 1.463 -0.306 0 CA-C-O 119.283 -0.382 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.6 pt -67.21 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 111.949 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.07 -44.64 96.24 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 112.461 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.17 98.97 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.574 -1.328 . . . . 0.0 113.334 173.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -61.75 -48.06 82.39 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.147 -0.971 . . . . 0.0 113.454 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.61 -36.31 80.59 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.998 -1.689 . . . . 0.0 113.28 174.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.89 97.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 120.71 -1.244 . . . . 0.0 113.615 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.35 84.23 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 121.006 -1.059 . . . . 0.0 113.66 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -65.74 -40.91 92.61 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -156.79 -5.24 0.1 Allowed 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.087 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.09 17.37 58.17 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 114.942 -3.143 . . . . 0.0 119.765 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.74 -27.03 12.98 Favored 'Trans proline' 0 CA--C 1.514 -0.518 1 CA-C-N 128.794 6.297 . . . . 0.0 112.652 -157.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.55 -45.85 81.8 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.453 1.024 . . . . 0.0 113.382 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.29 -38.74 81.95 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.815 -1.178 . . . . 0.0 112.332 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.23 -40.61 90.81 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.556 -1.34 . . . . 0.0 112.941 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.34 -41.32 93.35 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.508 -1.37 . . . . 0.0 113.254 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.63 -43.9 83.47 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.672 -1.267 . . . . 0.0 114.081 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.86 -48.04 89.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.158 -1.589 . . . . 0.0 112.413 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 p -63.28 -36.76 84.75 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 113.28 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.491 ' HZ2' ' HB2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 90.87 22.22 0.03 OUTLIER 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.786 2.434 . . . . 0.0 112.28 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -18.46 57.85 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.29 -1.506 . . . . 0.0 110.678 169.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.446 -0.656 0 C-N-CA 125.309 1.444 . . . . 0.0 107.658 169.029 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 CA--C 1.516 -0.41 0 CA-C-O 119.04 -0.483 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 pt -65.94 -40.83 88.52 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 CA-C-N 119.131 0.878 . . . . 0.0 112.012 174.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.97 -44.7 96.2 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.438 1.095 . . . . 0.0 112.512 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.96 99.82 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.502 -1.373 . . . . 0.0 113.464 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.25 -48.59 79.29 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 123.861 0.865 . . . . 0.0 113.24 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.6 -36.73 83.33 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.062 -1.649 . . . . 0.0 113.031 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.18 97.52 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 120.806 -1.184 . . . . 0.0 113.799 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.38 93.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.712 -1.242 . . . . 0.0 113.152 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.2 -41.72 96.95 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.29 14.25 0.25 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.27 39.43 2.01 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 116.768 -2.129 . . . . 0.0 116.662 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -75.18 -28.98 8.41 Favored 'Trans proline' 0 N--CA 1.459 -0.508 1 CA-C-N 125.824 4.812 . . . . 0.0 111.764 -166.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -67.0 -44.13 81.15 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 119.21 0.914 . . . . 0.0 113.434 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.04 -41.26 91.11 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.949 -1.719 . . . . 0.0 111.948 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -62.36 -38.78 90.88 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.561 -1.337 . . . . 0.0 113.617 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -65.12 -41.57 94.76 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.931 -1.731 . . . . 0.0 113.727 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.87 -47.51 77.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.832 -1.167 . . . . 0.0 113.912 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.91 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 22.19 16.29 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.121 -1.612 . . . . 0.0 111.928 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 tptm 57.06 49.26 14.06 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 123.556 1.646 . . . . 0.0 114.895 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -103.52 -0.27 30.04 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.65 -1.906 . . . . 0.0 110.546 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m . . . . . 0 C--N 1.348 0.512 0 O-C-N 120.551 -1.343 . . . . 0.0 109.131 168.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.518 -0.294 0 CA-C-O 119.242 -0.399 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.4 pt -66.51 -40.08 85.54 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 118.985 0.811 . . . . 0.0 111.849 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.0 -44.84 95.88 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.383 1.073 . . . . 0.0 112.478 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.6 -1.312 . . . . 0.0 113.369 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.12 -48.29 80.79 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.326 -0.859 . . . . 0.0 113.243 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.83 -35.95 81.24 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.95 -1.719 . . . . 0.0 113.077 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.44 97.27 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.861 -1.149 . . . . 0.0 113.526 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.22 84.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.046 -1.034 . . . . 0.0 113.585 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.45 -41.12 96.73 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.02 5.9 0.1 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.26 17.59 53.46 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 115.128 -3.04 . . . . 0.0 118.926 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.64 -21.49 16.67 Favored 'Trans proline' 0 CA--C 1.514 -0.523 1 CA-C-N 128.686 6.243 . . . . 0.0 111.402 -160.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -43.93 97.35 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 123.981 0.912 . . . . 0.0 112.939 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.66 -41.03 61.04 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.923 0.889 . . . . 0.0 112.366 171.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -59.35 -38.71 81.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.134 -1.604 . . . . 0.0 112.744 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 t -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.212 1.805 . . . . 0.0 114.557 173.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.25 3.0 pp -77.35 -42.99 34.45 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.06 -1.65 . . . . 0.0 112.493 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.65 -41.49 90.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 125.03 1.332 . . . . 0.0 112.805 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p -92.66 9.66 33.89 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.06 -1.65 . . . . 0.0 112.035 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.279 48.3 tptt 50.4 61.54 3.15 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 126.271 1.828 . . . . 0.0 114.137 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -112.66 -9.31 13.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 120.17 -1.581 . . . . 0.0 110.269 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.241 0.61 0 O-C-N 120.267 -1.521 . . . . 0.0 110.929 172.673 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 119.821 -0.158 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 pt -63.83 -39.71 86.41 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 124.036 0.934 . . . . 0.0 112.341 171.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.94 -44.58 92.43 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.437 1.495 . . . . 0.0 111.847 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.94 99.67 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.733 -1.229 . . . . 0.0 113.102 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -62.08 -48.34 80.64 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.31 -36.38 81.35 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.944 -1.723 . . . . 0.0 113.41 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.18 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.703 -1.248 . . . . 0.0 113.636 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.12 77.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.33 -41.23 89.94 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.49 -2.44 0.12 Allowed 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.801 -1.187 . . . . 0.0 113.763 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.27 18.52 56.39 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-O 114.971 -3.127 . . . . 0.0 119.26 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.45 -26.69 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.523 1 CA-C-N 128.553 6.177 . . . . 0.0 112.667 -160.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -65.02 -45.05 87.08 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.562 1.074 . . . . 0.0 113.276 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.49 -40.44 77.03 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.648 -1.282 . . . . 0.0 112.32 171.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.84 -36.31 78.79 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.043 -1.66 . . . . 0.0 113.017 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 120.561 -1.337 . . . . 0.0 113.785 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -71.63 -42.18 67.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.881 -1.137 . . . . 0.0 114.057 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.78 -41.79 86.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -103.32 20.58 17.49 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.093 -1.63 . . . . 0.0 111.761 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.271 35.2 tptt 56.44 49.92 14.03 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 123.69 1.709 . . . . 0.0 114.755 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -98.56 -3.45 36.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 119.221 -2.174 . . . . 0.0 110.762 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.24 0.602 0 O-C-N 120.507 -1.371 . . . . 0.0 110.557 176.314 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 CA--C 1.517 -0.341 0 N-CA-C 112.988 0.342 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -63.04 -39.84 86.73 Favored 'Isoleucine or valine' 0 C--N 1.345 0.403 0 C-N-CA 124.144 0.978 . . . . 0.0 112.7 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.29 -43.64 85.79 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 121.047 -1.033 . . . . 0.0 111.445 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.98 98.65 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.9 -1.125 . . . . 0.0 113.255 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.45 -48.93 77.46 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.66 -36.74 83.25 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 119.841 -1.787 . . . . 0.0 113.059 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.75 98.42 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.604 1.162 . . . . 0.0 113.482 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.85 84.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.412 -1.43 . . . . 0.0 113.623 169.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.32 -41.13 96.96 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -154.63 12.05 0.39 Allowed 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.034 -1.666 . . . . 0.0 115.115 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 20.11 34.66 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-O 115.483 -2.843 . . . . 0.0 117.479 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.03 -27.87 29.43 Favored 'Trans proline' 0 C--N 1.348 0.508 1 CA-C-N 127.505 5.653 . . . . 0.0 113.303 -157.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -63.38 -44.92 93.35 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -72.88 -39.85 66.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.223 -0.923 . . . . 0.0 112.288 171.454 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -60.19 -40.81 91.33 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.275 -1.516 . . . . 0.0 112.65 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 t -59.76 -45.28 92.72 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.087 1.755 . . . . 0.0 114.239 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.38 -43.53 60.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.707 -1.246 . . . . 0.0 113.336 177.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.4 -42.34 95.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 124.496 1.118 . . . . 0.0 112.385 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -96.13 17.52 15.46 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.281 -1.512 . . . . 0.0 111.755 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.73 17.89 4.33 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 157.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -81.14 -21.05 40.08 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 118.974 -2.329 . . . . 0.0 112.477 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.24 0.562 0 O-C-N 120.092 -1.63 . . . . 0.0 111.784 175.889 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.462 -0.376 0 CA-C-O 119.045 -0.481 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 pt -66.69 -40.28 85.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 119.241 0.928 . . . . 0.0 112.055 174.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.96 -44.86 95.86 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.481 1.112 . . . . 0.0 112.466 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.04 99.77 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.656 -1.277 . . . . 0.0 113.363 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 t -62.3 -48.22 80.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.324 -0.86 . . . . 0.0 113.272 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.51 -37.1 84.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.037 -1.664 . . . . 0.0 113.032 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.74 96.49 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 120.791 -1.193 . . . . 0.0 113.497 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.16 95.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.694 -1.254 . . . . 0.0 113.255 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -63.94 -41.56 97.58 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.35 13.43 0.24 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 37.46 2.31 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 116.449 -2.306 . . . . 0.0 117.121 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.17 -23.19 10.59 Favored 'Trans proline' 0 CA--C 1.515 -0.468 1 CA-C-N 126.453 5.126 . . . . 0.0 110.824 -167.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.7 -44.09 87.2 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.909 0.883 . . . . 0.0 113.216 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.49 -40.38 77.06 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.517 -1.364 . . . . 0.0 111.914 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -61.19 -42.67 99.0 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.866 -1.146 . . . . 0.0 113.344 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -65.04 -32.69 74.53 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.278 -1.514 . . . . 0.0 114.056 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.7 mt -68.72 -49.73 56.5 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.478 -1.388 . . . . 0.0 112.645 171.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.47 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 125.205 1.402 . . . . 0.0 112.84 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -91.75 7.33 42.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.078 -1.639 . . . . 0.0 112.091 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.294 47.2 tptt 48.76 60.62 3.57 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.764 2.026 . . . . 0.0 114.35 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -115.76 -8.62 12.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.517 -1.364 . . . . 0.0 110.337 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--O 1.242 0.674 0 O-C-N 120.093 -1.629 . . . . 0.0 110.837 167.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 C--O 1.231 0.164 0 N-CA-C 113.364 0.486 . . . . 0.0 113.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.6 pt -65.84 -38.68 82.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 CA-C-N 118.895 0.77 . . . . 0.0 112.455 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.98 -44.04 97.14 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.517 1.127 . . . . 0.0 112.442 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.766 -1.209 . . . . 0.0 112.919 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.25 -48.01 81.82 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 119.569 -1.957 . . . . 0.0 113.385 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.22 98.88 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.692 1.197 . . . . 0.0 113.911 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.1 97.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.151 -1.593 . . . . 0.0 112.917 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.498 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -64.89 -40.29 94.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.9 16.36 0.67 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -128.65 41.05 1.62 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-O 117.168 -1.907 . . . . 0.0 115.127 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -67.89 -29.6 34.47 Favored 'Trans proline' 0 N--CA 1.461 -0.436 1 CA-C-N 124.845 4.322 . . . . 0.0 112.732 -169.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -66.68 -44.26 82.27 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 119.258 0.935 . . . . 0.0 113.386 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.44 -39.97 85.44 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.418 -1.426 . . . . 0.0 111.947 172.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -61.95 -39.68 92.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.224 -1.548 . . . . 0.0 113.221 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 p -66.31 -43.62 85.72 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.138 -1.601 . . . . 0.0 114.536 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 3.2 pp -68.79 -43.07 76.44 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.506 -1.371 . . . . 0.0 114.422 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.97 -42.11 88.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -104.24 21.9 15.73 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.001 -1.687 . . . . 0.0 111.235 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.262 0.3 OUTLIER 52.14 49.12 21.3 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.528 1.931 . . . . 0.0 115.957 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -94.99 -7.85 38.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 119.872 -1.767 . . . . 0.0 109.885 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.24 0.591 0 O-C-N 120.626 -1.296 . . . . 0.0 110.59 167.038 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 CA--C 1.519 -0.264 0 CA-C-O 119.957 -0.101 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -64.66 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 124.067 0.947 . . . . 0.0 112.448 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.52 -43.45 97.13 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.784 1.234 . . . . 0.0 111.994 173.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.41 98.91 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.809 -1.182 . . . . 0.0 113.246 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.28 -48.28 80.6 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.25 3.4 pp -66.99 -35.51 80.12 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 119.734 -1.854 . . . . 0.0 113.15 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.13 99.37 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.761 -1.212 . . . . 0.0 113.344 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.38 88.36 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.515 -1.365 . . . . 0.0 113.506 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -63.81 -40.78 97.45 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -155.53 9.29 0.28 Allowed 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.963 -1.711 . . . . 0.0 115.43 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.2 19.18 35.12 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-O 115.182 -3.01 . . . . 0.0 117.836 172.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.15 -20.15 16.85 Favored 'Trans proline' 0 CA--C 1.511 -0.629 1 CA-C-N 128.06 5.93 . . . . 0.0 112.718 -151.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 119.496 1.044 . . . . 0.0 112.644 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.83 -45.35 86.55 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 124.0 0.92 . . . . 0.0 111.402 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.12 -40.69 94.72 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.544 -1.348 . . . . 0.0 112.486 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.57 -45.63 93.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.769 1.628 . . . . 0.0 114.025 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.69 -45.63 43.09 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.323 -1.486 . . . . 0.0 113.683 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.58 -42.21 95.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.994 -1.066 . . . . 0.0 112.883 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 p -94.64 9.11 40.03 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.926 -1.734 . . . . 0.0 111.925 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 tptm 58.32 60.48 2.61 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -24.84 15.28 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.088 -1.632 . . . . 0.0 108.554 159.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--N 1.348 0.534 0 O-C-N 120.191 -1.568 . . . . 0.0 111.057 -179.435 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 CA--C 1.518 -0.301 0 CA-C-O 119.295 -0.377 . . . . 0.0 112.764 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.2 pt -66.14 -39.57 84.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 CA-C-N 118.99 0.814 . . . . 0.0 112.299 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.59 -44.53 96.07 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.109 -0.994 . . . . 0.0 112.268 174.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.32 96.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.995 -1.066 . . . . 0.0 112.988 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.63 -47.92 81.62 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.25 -0.906 . . . . 0.0 113.291 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.254 3.0 pp -66.06 -39.68 90.28 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.672 -1.893 . . . . 0.0 113.297 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.54 93.61 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.347 1.459 . . . . 0.0 113.927 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.39 98.57 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 119.938 -1.727 . . . . 0.0 112.378 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HZ1' ' HB3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.91 -36.37 83.71 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.3 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.75 11.65 0.43 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.3 48.26 0.79 Allowed Glycine 0 C--N 1.344 1.023 0 O-C-N 119.509 -1.994 . . . . 0.0 115.34 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.97 -17.5 19.57 Favored 'Trans proline' 0 N--CA 1.46 -0.471 1 CA-C-N 124.467 4.134 . . . . 0.0 111.203 -170.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -63.62 -42.8 98.16 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -40.57 79.62 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.233 -1.542 . . . . 0.0 112.22 171.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -61.9 -44.25 97.19 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.516 -1.365 . . . . 0.0 112.903 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -65.94 -36.63 83.87 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.12 -43.3 71.29 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 119.981 -1.7 . . . . 0.0 113.237 173.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.39 -41.17 90.71 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.653 1.181 . . . . 0.0 112.678 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.8 p -91.23 10.45 27.11 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.946 -1.721 . . . . 0.0 111.631 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.273 26.0 tptp 42.95 57.55 3.6 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 128.753 2.821 . . . . 0.0 114.747 -177.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -13.91 15.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.354 -1.466 . . . . 0.0 109.418 173.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 C--O 1.241 0.645 0 O-C-N 120.604 -1.31 . . . . 0.0 111.293 170.45 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 112.426 0.125 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -61.48 -38.29 79.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 124.863 1.265 . . . . 0.0 112.924 172.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.15 -43.59 86.57 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.998 -1.064 . . . . 0.0 111.639 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.55 98.61 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.921 -1.112 . . . . 0.0 112.915 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.33 -47.63 83.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.55 -37.17 84.4 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 119.831 -1.793 . . . . 0.0 113.065 176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.72 93.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.76 -1.212 . . . . 0.0 113.16 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.07 98.74 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 121.131 -0.981 . . . . 0.0 113.569 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -163.2 12.78 0.06 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -175.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.99 40.62 1.71 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-O 116.786 -2.119 . . . . 0.0 116.723 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.62 -22.16 8.08 Favored 'Trans proline' 0 CA--C 1.513 -0.574 1 CA-C-N 125.956 4.878 . . . . 0.0 111.021 -165.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -44.09 95.5 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' H ' HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.07 -41.92 85.6 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.809 -1.182 . . . . 0.0 112.456 172.592 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -61.04 -41.59 96.87 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.743 1.217 . . . . 0.0 112.444 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 m -58.73 -39.93 82.31 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.464 1.506 . . . . 0.0 114.291 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.06 -47.44 65.33 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.206 -0.934 . . . . 0.0 112.859 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.95 1.3 . . . . 0.0 112.607 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -93.51 6.81 46.97 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.258 -1.526 . . . . 0.0 111.592 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 51.0 59.38 4.66 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 127.492 2.317 . . . . 0.0 114.024 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -36.14 3.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 120.406 -1.434 . . . . 0.0 112.736 -175.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 CA--C 1.512 -0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.262 -175.15 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 119.457 -0.31 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.2 pt -64.36 -41.49 92.49 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.779 0.832 . . . . 0.0 112.348 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.17 -43.34 99.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.696 1.199 . . . . 0.0 112.055 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.3 99.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.737 -1.227 . . . . 0.0 113.252 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.3 t -62.3 -48.95 77.62 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.11 -34.59 77.94 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.892 -1.755 . . . . 0.0 113.279 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.41 95.91 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.613 -1.305 . . . . 0.0 113.552 172.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.57 81.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.974 -1.079 . . . . 0.0 113.559 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -39.75 94.23 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.28 2.93 0.06 Allowed 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.03 23.16 37.05 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-O 115.348 -2.918 . . . . 0.0 119.015 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -75.77 -19.4 16.31 Favored 'Trans proline' 0 N--CA 1.459 -0.541 1 CA-C-N 128.578 6.189 . . . . 0.0 112.224 -160.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -64.79 -46.82 80.44 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.684 1.129 . . . . 0.0 113.421 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -40.7 78.29 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.109 -0.994 . . . . 0.0 112.038 173.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.21 -34.91 75.85 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.106 -1.621 . . . . 0.0 113.068 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -61.99 -49.56 75.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.41 -1.431 . . . . 0.0 113.86 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.88 -43.12 65.94 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.484 -1.385 . . . . 0.0 114.35 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.08 -41.15 85.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 124.524 1.13 . . . . 0.0 113.852 -173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 p -96.14 14.79 22.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.82 -1.8 . . . . 0.0 112.19 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.274 30.1 tptt 54.86 45.98 25.43 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 124.669 2.176 . . . . 0.0 112.765 -174.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -102.25 -0.01 33.66 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 119.707 -1.871 . . . . 0.0 109.97 -174.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.441 -1.412 . . . . 0.0 109.878 167.493 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.517 -0.361 0 CA-C-O 119.637 -0.235 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 pt -66.41 -35.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.346 0.447 0 CA-C-N 118.831 0.742 . . . . 0.0 112.553 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.05 -43.28 96.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.969 -1.082 . . . . 0.0 111.974 173.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.04 99.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.85 -1.156 . . . . 0.0 112.923 173.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 t -62.26 -47.88 82.38 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.92 -34.85 78.68 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.81 -1.806 . . . . 0.0 113.137 176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.525 -1.359 . . . . 0.0 112.98 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.515 -1.366 . . . . 0.0 113.622 170.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.51 -39.95 94.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.65 -0.56 0.04 OUTLIER 'General case' 0 C--N 1.35 0.601 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 175.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.64 44.62 1.47 Allowed Glycine 0 C--N 1.35 1.343 0 CA-C-O 116.16 -2.467 . . . . 0.0 117.175 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -82.21 -28.17 2.05 Favored 'Trans proline' 0 CA--C 1.508 -0.786 1 CA-C-N 127.043 5.422 . . . . 0.0 111.765 -158.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -63.8 -41.12 97.98 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.467 1.031 . . . . 0.0 113.488 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.88 -43.76 95.07 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.908 -1.12 . . . . 0.0 113.101 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.71 -41.62 98.07 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.135 -1.603 . . . . 0.0 112.018 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.45 -42.31 99.37 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.561 1.545 . . . . 0.0 114.304 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -71.85 -43.4 65.58 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.268 -1.52 . . . . 0.0 114.261 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.61 -42.03 94.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 O-C-N 121.067 -1.021 . . . . 0.0 111.644 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -89.47 34.03 0.82 Allowed 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.064 -1.648 . . . . 0.0 112.616 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 tptt 69.55 -22.29 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 129.208 3.003 . . . . 0.0 117.75 168.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -61.94 -43.26 99.21 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.241 0.653 0 O-C-N 120.578 -1.327 . . . . 0.0 111.382 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 C--O 1.231 0.163 0 N-CA-C 113.154 0.406 . . . . 0.0 113.154 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.8 pt -64.49 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 124.193 0.997 . . . . 0.0 112.534 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.69 -44.19 94.41 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.259 1.424 . . . . 0.0 111.987 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.36 99.01 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.675 -1.265 . . . . 0.0 112.999 173.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.36 -47.94 81.98 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.34 -37.13 84.63 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.772 -1.83 . . . . 0.0 113.165 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.87 96.99 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.95 -1.094 . . . . 0.0 113.367 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.77 84.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -63.24 -45.12 93.07 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.71 3.22 0.03 OUTLIER 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -174.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.19 23.85 33.07 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 115.293 -2.948 . . . . 0.0 118.253 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.25 -21.63 15.2 Favored 'Trans proline' 0 N--CA 1.46 -0.476 1 CA-C-N 128.512 6.156 . . . . 0.0 112.191 -160.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.04 -44.64 88.44 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.44 1.018 . . . . 0.0 113.232 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -39.8 84.24 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.974 -1.079 . . . . 0.0 112.611 173.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -59.5 -40.44 87.05 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.612 -1.305 . . . . 0.0 112.372 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 t -59.9 -50.67 72.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.277 2.6 pt? -73.65 -42.33 61.53 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.31 -1.494 . . . . 0.0 113.779 178.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.93 -37.92 78.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 124.645 1.178 . . . . 0.0 112.727 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -95.29 9.35 40.15 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.349 -1.47 . . . . 0.0 112.98 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.28 27.0 tptt 53.82 44.31 29.72 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 124.666 2.174 . . . . 0.0 112.995 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -98.47 -4.96 33.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 119.676 -1.89 . . . . 0.0 109.73 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.241 0.639 0 O-C-N 120.464 -1.397 . . . . 0.0 110.417 172.005 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.521 -0.128 0 N-CA-C 112.58 0.185 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.18 -39.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 124.293 1.037 . . . . 0.0 112.489 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.92 -44.44 92.89 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.145 1.378 . . . . 0.0 112.151 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.26 99.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.732 -1.23 . . . . 0.0 112.936 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 t -62.23 -48.38 80.23 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.47 -35.6 80.67 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.906 -1.747 . . . . 0.0 113.176 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.77 95.28 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.749 -1.22 . . . . 0.0 113.094 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.84 87.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.855 -1.153 . . . . 0.0 113.665 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -38.94 92.36 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.97 -0.6 0.03 OUTLIER 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 174.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.06 34.9 5.44 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 115.609 -2.773 . . . . 0.0 118.502 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -79.61 -21.02 8.94 Favored 'Trans proline' 0 CA--C 1.511 -0.661 1 CA-C-N 128.013 5.907 . . . . 0.0 111.237 -162.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.91 -43.27 96.48 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -41.71 83.94 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.975 -1.078 . . . . 0.0 112.596 172.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -61.53 -41.77 97.82 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.368 -1.458 . . . . 0.0 112.32 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.12 -43.72 95.42 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.259 3.5 pp -72.26 -43.22 64.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.208 -1.558 . . . . 0.0 113.687 174.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.38 -41.78 93.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.581 1.152 . . . . 0.0 112.832 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -92.11 11.83 24.13 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.022 -1.673 . . . . 0.0 111.573 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 19.5 tptm 45.4 60.44 3.05 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.126 2.57 . . . . 0.0 114.369 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -12.18 15.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.163 -1.586 . . . . 0.0 109.674 173.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.348 0.501 0 O-C-N 121.0 -1.063 . . . . 0.0 110.057 174.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo . . . . . 0 CA--C 1.518 -0.291 0 N-CA-C 113.386 0.495 . . . . 0.0 113.386 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -65.1 -41.51 92.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-N 119.138 0.881 . . . . 0.0 112.026 173.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.83 -44.62 95.67 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 125.261 1.424 . . . . 0.0 111.922 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.16 98.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 120.55 -1.344 . . . . 0.0 113.239 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.25 -49.87 73.99 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.66 -37.42 84.76 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.064 -1.647 . . . . 0.0 113.14 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.454 -1.404 . . . . 0.0 113.612 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.41 83.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 120.416 -1.427 . . . . 0.0 113.611 167.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.7 7.71 0.36 Allowed 'General case' 0 C--N 1.348 0.501 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.45 26.35 18.63 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-O 115.449 -2.862 . . . . 0.0 118.389 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.91 -32.58 54.65 Favored 'Trans proline' 0 N--CA 1.462 -0.371 1 CA-C-N 127.466 5.633 . . . . 0.0 114.727 -160.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.93 -45.87 80.3 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 119.879 1.218 . . . . 0.0 113.532 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.29 -36.91 80.07 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.732 -1.23 . . . . 0.0 112.321 173.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.74 -44.68 90.58 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.891 -1.131 . . . . 0.0 111.758 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.97 -49.7 75.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.91 -40.24 91.3 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.52 -51.24 65.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.361 -1.462 . . . . 0.0 111.895 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 p -67.07 -37.79 84.61 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 91.01 17.92 0.03 OUTLIER 'General case' 0 C--N 1.352 0.683 0 C-N-CA 128.301 2.64 . . . . 0.0 112.281 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.73 -36.53 84.17 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.554 -1.341 . . . . 0.0 114.387 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.511 -0.553 0 O-C-N 120.879 -1.138 . . . . 0.0 108.888 178.168 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 CA--C 1.518 -0.297 0 N-CA-C 112.555 0.175 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -62.73 -38.93 82.96 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.454 1.102 . . . . 0.0 112.898 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.7 -43.17 85.11 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.929 -1.107 . . . . 0.0 111.188 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.62 98.5 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 173.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -62.45 -48.0 81.57 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.34 -37.18 84.74 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 119.673 -1.892 . . . . 0.0 113.162 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.37 97.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 120.68 -1.263 . . . . 0.0 113.136 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.79 94.05 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.007 -1.058 . . . . 0.0 113.799 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -62.35 -44.91 95.38 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.4 1.57 0.03 OUTLIER 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.11 19.96 39.25 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-O 114.888 -3.173 . . . . 0.0 118.282 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.55 -24.57 55.96 Favored 'Trans proline' 0 CA--C 1.514 -0.482 1 CA-C-N 127.978 5.889 . . . . 0.0 114.762 -151.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -60.86 -37.58 82.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -42.32 94.94 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.695 1.588 . . . . 0.0 112.809 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.09 97.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.492 -1.38 . . . . 0.0 111.384 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 m -60.65 -42.68 97.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.83 -44.56 55.34 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.989 1.268 . . . . 0.0 113.366 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.77 -40.27 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 121.062 -1.024 . . . . 0.0 112.244 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.6 p -96.81 20.69 10.6 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.534 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 tptt 68.3 -19.66 0.15 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -56.39 -42.15 77.46 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 116.812 2.152 . . . . 0.0 116.812 -169.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.241 0.657 0 O-C-N 120.36 -1.463 . . . . 0.0 111.783 -177.05 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 119.799 -0.167 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -63.67 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 124.055 0.942 . . . . 0.0 112.344 171.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.98 -44.41 92.77 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.361 1.464 . . . . 0.0 111.867 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.26 99.23 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 120.801 -1.187 . . . . 0.0 113.09 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 t -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.61 -36.62 83.06 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 119.749 -1.844 . . . . 0.0 113.204 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.57 96.58 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.787 -1.196 . . . . 0.0 113.375 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.36 88.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 172.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -62.65 -44.86 95.2 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.86 1.88 0.03 OUTLIER 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.6 16.53 58.7 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-O 114.925 -3.153 . . . . 0.0 118.981 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.95 -22.73 12.93 Favored 'Trans proline' 0 CA--C 1.512 -0.592 1 CA-C-N 128.563 6.182 . . . . 0.0 112.28 -155.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -65.19 -42.63 93.4 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 118.978 0.808 . . . . 0.0 112.711 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.39 86.37 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 121.151 -0.968 . . . . 0.0 110.94 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -61.94 -42.16 98.79 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 113.635 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.363 -1.461 . . . . 0.0 114.131 174.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.49 -51.53 59.36 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.664 -1.273 . . . . 0.0 113.174 171.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.39 -42.99 96.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.169 0.988 . . . . 0.0 112.854 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 p -98.83 15.97 23.78 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.025 -1.672 . . . . 0.0 112.081 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tptm 55.96 57.51 5.08 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -111.07 -1.81 16.12 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.105 -1.622 . . . . 0.0 109.813 160.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--N 1.347 0.498 0 O-C-N 120.096 -1.628 . . . . 0.0 109.21 168.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 CA--C 1.518 -0.324 0 CA-C-O 119.722 -0.199 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -39.48 85.62 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 124.374 1.069 . . . . 0.0 112.05 172.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 125.215 1.406 . . . . 0.0 112.169 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.93 99.8 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.533 -1.355 . . . . 0.0 113.198 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.1 t -62.27 -48.64 79.04 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.75 -35.29 79.76 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.895 -1.753 . . . . 0.0 113.064 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.08 97.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.655 -1.278 . . . . 0.0 113.337 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.48 83.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.764 -1.21 . . . . 0.0 113.623 169.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -39.72 94.2 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.82 2.81 0.07 Allowed 'General case' 0 C--N 1.347 0.49 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.58 21.09 45.5 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 115.301 -2.944 . . . . 0.0 118.955 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.14 -26.09 13.09 Favored 'Trans proline' 0 CA--C 1.513 -0.562 1 CA-C-N 128.381 6.09 . . . . 0.0 112.529 -158.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -65.49 -44.9 85.61 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.68 1.127 . . . . 0.0 113.294 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -67.46 -40.68 85.37 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.479 -1.388 . . . . 0.0 112.468 172.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -59.52 -42.31 91.96 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.81 -1.181 . . . . 0.0 112.46 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 t -59.32 -43.85 92.65 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 126.143 1.777 . . . . 0.0 113.359 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.66 -50.92 39.48 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.91 -40.9 90.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 112.913 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.9 p -104.29 20.56 18.18 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 120.522 -1.361 . . . . 0.0 111.605 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.27 39.6 tptt 54.68 53.52 10.49 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 168.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -101.38 -6.73 23.68 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 119.657 -1.902 . . . . 0.0 110.283 166.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.24 0.596 0 O-C-N 119.961 -1.712 . . . . 0.0 111.336 178.455 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 122.733 1.254 . . . . 0.0 108.626 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.274 2.7 pt? -60.71 -39.24 64.56 Favored Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.28 -39.1 5.85 Favored 'Trans proline' 0 C--N 1.347 0.496 1 CA-C-N 128.343 4.015 . . . . 0.0 112.454 -176.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -66.42 -39.94 85.33 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 119.207 0.912 . . . . 0.0 111.975 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.377 1.071 . . . . 0.0 112.413 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.86 99.74 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.438 -1.414 . . . . 0.0 113.274 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.9 t -62.96 -44.97 94.59 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.88 -1.138 . . . . 0.0 113.794 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.31 -34.93 75.42 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.911 -1.743 . . . . 0.0 112.877 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.08 97.9 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.684 -1.26 . . . . 0.0 113.389 172.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.9 97.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.28 3.5 0.08 Allowed 'General case' 0 C--N 1.349 0.545 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.0 18.61 45.84 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-O 115.031 -3.094 . . . . 0.0 119.04 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.19 -22.32 19.25 Favored 'Trans proline' 0 CA--C 1.514 -0.478 1 CA-C-N 128.567 6.184 . . . . 0.0 112.051 -161.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.68 -45.1 88.1 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 123.805 0.842 . . . . 0.0 113.12 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.28 -39.8 68.08 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.986 171.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -61.08 -42.26 98.16 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.354 -1.466 . . . . 0.0 113.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.419 -1.426 . . . . 0.0 114.619 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.263 3.5 pp -71.69 -44.15 64.71 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.986 -1.696 . . . . 0.0 113.072 175.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.22 -42.75 97.6 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 C-N-CA 124.24 1.016 . . . . 0.0 112.768 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 p -95.84 17.38 15.3 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.943 -1.723 . . . . 0.0 112.137 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.312 38.9 tptt 48.73 58.33 5.4 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 128.427 2.691 . . . . 0.0 115.699 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -119.86 -0.95 10.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.318 -1.489 . . . . 0.0 110.676 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.457 -1.402 . . . . 0.0 110.064 166.859 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.973 0.892 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -154.83 12.22 0.0 OUTLIER Pre-proline 0 N--CA 1.447 -0.581 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 -175.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.96 -41.23 10.39 Favored 'Trans proline' 0 C--N 1.348 0.545 1 CA-C-N 129.369 4.382 . . . . 0.0 113.11 -173.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -64.66 -38.67 83.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 124.122 0.969 . . . . 0.0 112.419 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.57 -44.54 93.8 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.307 1.443 . . . . 0.0 112.004 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.13 99.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.744 -1.223 . . . . 0.0 113.046 173.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.3 -48.31 80.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.87 -35.66 80.53 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 119.833 -1.792 . . . . 0.0 113.033 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.26 97.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.774 -1.203 . . . . 0.0 113.442 173.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.97 88.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.904 -1.122 . . . . 0.0 113.449 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.28 -41.05 97.08 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 7.18 0.13 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.32 20.27 35.46 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 115.215 -2.992 . . . . 0.0 118.211 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.99 -29.69 14.67 Favored 'Trans proline' 0 CA--C 1.513 -0.528 1 CA-C-N 128.308 6.054 . . . . 0.0 112.786 -157.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.51 -43.03 91.34 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.37 -40.08 81.57 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.662 -1.274 . . . . 0.0 112.267 173.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -61.8 -39.2 90.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.611 -1.306 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.94 -43.76 94.77 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.84 1.656 . . . . 0.0 113.158 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.94 -52.25 38.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.993 -1.067 . . . . 0.0 113.311 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.24 -41.91 94.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 C-N-CA 125.23 1.412 . . . . 0.0 112.796 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -93.46 8.79 39.2 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.958 -1.714 . . . . 0.0 111.894 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.265 0.6 OUTLIER 78.28 23.44 0.7 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.948 1.699 . . . . 0.0 114.419 164.649 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -44.07 70.68 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.047 -2.283 . . . . 0.0 111.548 170.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.238 0.485 0 O-C-N 120.564 -1.335 . . . . 0.0 113.525 -172.723 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 122.601 1.191 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.277 2.7 pt? -60.45 -39.69 69.71 Favored Pre-proline 0 N--CA 1.446 -0.634 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.47 -38.02 6.76 Favored 'Trans proline' 0 C--N 1.346 0.441 0 CA-C-N 128.266 3.988 . . . . 0.0 112.441 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.6 pt -67.21 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 111.949 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.07 -44.64 96.24 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 112.461 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.17 98.97 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.574 -1.328 . . . . 0.0 113.334 173.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -61.75 -48.06 82.39 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.147 -0.971 . . . . 0.0 113.454 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.61 -36.31 80.59 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.998 -1.689 . . . . 0.0 113.28 174.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.89 97.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 120.71 -1.244 . . . . 0.0 113.615 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.35 84.23 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 121.006 -1.059 . . . . 0.0 113.66 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -65.74 -40.91 92.61 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -156.79 -5.24 0.1 Allowed 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.087 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.09 17.37 58.17 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 114.942 -3.143 . . . . 0.0 119.765 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.74 -27.03 12.98 Favored 'Trans proline' 0 CA--C 1.514 -0.518 1 CA-C-N 128.794 6.297 . . . . 0.0 112.652 -157.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.55 -45.85 81.8 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.453 1.024 . . . . 0.0 113.382 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.29 -38.74 81.95 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.815 -1.178 . . . . 0.0 112.332 173.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.23 -40.61 90.81 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.556 -1.34 . . . . 0.0 112.941 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.34 -41.32 93.35 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.508 -1.37 . . . . 0.0 113.254 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.63 -43.9 83.47 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.672 -1.267 . . . . 0.0 114.081 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.86 -48.04 89.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.158 -1.589 . . . . 0.0 112.413 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 p -63.28 -36.76 84.75 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 113.28 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.491 ' HZ2' ' HB2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 90.87 22.22 0.03 OUTLIER 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.786 2.434 . . . . 0.0 112.28 179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -18.46 57.85 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.29 -1.506 . . . . 0.0 110.678 169.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.446 -0.656 0 C-N-CA 125.309 1.444 . . . . 0.0 107.658 169.029 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 123.013 1.387 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -60.15 -43.0 92.75 Favored Pre-proline 0 N--CA 1.445 -0.681 0 CA-C-O 115.656 -2.116 . . . . 0.0 116.412 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -70.95 -38.39 5.25 Favored 'Trans proline' 0 CA--C 1.516 -0.41 0 CA-C-N 126.815 3.47 . . . . 0.0 112.517 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 pt -65.94 -40.83 88.52 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 CA-C-N 119.131 0.878 . . . . 0.0 112.012 174.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.97 -44.7 96.2 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.438 1.095 . . . . 0.0 112.512 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.96 99.82 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.502 -1.373 . . . . 0.0 113.464 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.25 -48.59 79.29 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 123.861 0.865 . . . . 0.0 113.24 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.6 -36.73 83.33 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.062 -1.649 . . . . 0.0 113.031 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.18 97.52 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 120.806 -1.184 . . . . 0.0 113.799 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.38 93.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.712 -1.242 . . . . 0.0 113.152 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.2 -41.72 96.95 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.29 14.25 0.25 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.27 39.43 2.01 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 116.768 -2.129 . . . . 0.0 116.662 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -75.18 -28.98 8.41 Favored 'Trans proline' 0 N--CA 1.459 -0.508 1 CA-C-N 125.824 4.812 . . . . 0.0 111.764 -166.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -67.0 -44.13 81.15 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 119.21 0.914 . . . . 0.0 113.434 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.04 -41.26 91.11 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.949 -1.719 . . . . 0.0 111.948 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -62.36 -38.78 90.88 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.561 -1.337 . . . . 0.0 113.617 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -65.12 -41.57 94.76 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.931 -1.731 . . . . 0.0 113.727 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.87 -47.51 77.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.832 -1.167 . . . . 0.0 113.912 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.91 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 22.19 16.29 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.121 -1.612 . . . . 0.0 111.928 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 tptm 57.06 49.26 14.06 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 123.556 1.646 . . . . 0.0 114.895 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -103.52 -0.27 30.04 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.65 -1.906 . . . . 0.0 110.546 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m . . . . . 0 C--N 1.348 0.512 0 O-C-N 120.551 -1.343 . . . . 0.0 109.131 168.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 122.691 1.234 . . . . 0.0 108.64 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.274 2.7 pt? -60.73 -39.53 66.98 Favored Pre-proline 0 N--CA 1.447 -0.605 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.6 -38.84 5.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 CA-C-N 128.282 3.994 . . . . 0.0 112.424 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.4 pt -66.51 -40.08 85.54 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 118.985 0.811 . . . . 0.0 111.849 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.0 -44.84 95.88 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.383 1.073 . . . . 0.0 112.478 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.6 -1.312 . . . . 0.0 113.369 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.12 -48.29 80.79 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.326 -0.859 . . . . 0.0 113.243 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.83 -35.95 81.24 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.95 -1.719 . . . . 0.0 113.077 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.44 97.27 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.861 -1.149 . . . . 0.0 113.526 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.22 84.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.046 -1.034 . . . . 0.0 113.585 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.45 -41.12 96.73 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.02 5.9 0.1 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.26 17.59 53.46 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 115.128 -3.04 . . . . 0.0 118.926 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.64 -21.49 16.67 Favored 'Trans proline' 0 CA--C 1.514 -0.523 1 CA-C-N 128.686 6.243 . . . . 0.0 111.402 -160.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -43.93 97.35 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 123.981 0.912 . . . . 0.0 112.939 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.66 -41.03 61.04 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.923 0.889 . . . . 0.0 112.366 171.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -59.35 -38.71 81.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.134 -1.604 . . . . 0.0 112.744 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 t -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.212 1.805 . . . . 0.0 114.557 173.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.25 3.0 pp -77.35 -42.99 34.45 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.06 -1.65 . . . . 0.0 112.493 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.65 -41.49 90.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 125.03 1.332 . . . . 0.0 112.805 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p -92.66 9.66 33.89 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.06 -1.65 . . . . 0.0 112.035 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.279 48.3 tptt 50.4 61.54 3.15 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 126.271 1.828 . . . . 0.0 114.137 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -112.66 -9.31 13.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 120.17 -1.581 . . . . 0.0 110.269 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.241 0.61 0 O-C-N 120.267 -1.521 . . . . 0.0 110.929 172.673 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.9 t80 . . . . . 0 N--CA 1.436 -1.155 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -159.85 -1.83 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.549 0 N-CA-C 119.265 3.061 . . . . 0.0 119.265 -171.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.6 -36.14 11.79 Favored 'Trans proline' 0 C--N 1.347 0.495 1 CA-C-N 130.31 4.718 . . . . 0.0 112.09 -176.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 pt -63.83 -39.71 86.41 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 124.036 0.934 . . . . 0.0 112.341 171.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.94 -44.58 92.43 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.437 1.495 . . . . 0.0 111.847 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.94 99.67 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.733 -1.229 . . . . 0.0 113.102 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -62.08 -48.34 80.64 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.31 -36.38 81.35 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.944 -1.723 . . . . 0.0 113.41 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.18 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.703 -1.248 . . . . 0.0 113.636 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.12 77.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.33 -41.23 89.94 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.49 -2.44 0.12 Allowed 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.801 -1.187 . . . . 0.0 113.763 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.27 18.52 56.39 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-O 114.971 -3.127 . . . . 0.0 119.26 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.45 -26.69 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.523 1 CA-C-N 128.553 6.177 . . . . 0.0 112.667 -160.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -65.02 -45.05 87.08 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.562 1.074 . . . . 0.0 113.276 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.49 -40.44 77.03 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.648 -1.282 . . . . 0.0 112.32 171.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.84 -36.31 78.79 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.043 -1.66 . . . . 0.0 113.017 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 120.561 -1.337 . . . . 0.0 113.785 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -71.63 -42.18 67.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.881 -1.137 . . . . 0.0 114.057 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.78 -41.79 86.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -103.32 20.58 17.49 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.093 -1.63 . . . . 0.0 111.761 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.271 35.2 tptt 56.44 49.92 14.03 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 123.69 1.709 . . . . 0.0 114.755 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -98.56 -3.45 36.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 119.221 -2.174 . . . . 0.0 110.762 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.24 0.602 0 O-C-N 120.507 -1.371 . . . . 0.0 110.557 176.314 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.439 -0.994 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp 49.33 58.19 17.86 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.02 -32.25 44.64 Favored 'Trans proline' 0 CA--C 1.517 -0.341 0 C-N-CA 123.242 2.628 . . . . 0.0 112.988 -167.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -63.04 -39.84 86.73 Favored 'Isoleucine or valine' 0 C--N 1.345 0.403 0 C-N-CA 124.144 0.978 . . . . 0.0 112.7 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.29 -43.64 85.79 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 121.047 -1.033 . . . . 0.0 111.445 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.98 98.65 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.9 -1.125 . . . . 0.0 113.255 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.45 -48.93 77.46 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.66 -36.74 83.25 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 119.841 -1.787 . . . . 0.0 113.059 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.75 98.42 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.604 1.162 . . . . 0.0 113.482 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.85 84.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.412 -1.43 . . . . 0.0 113.623 169.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.32 -41.13 96.96 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -154.63 12.05 0.39 Allowed 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.034 -1.666 . . . . 0.0 115.115 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 20.11 34.66 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-O 115.483 -2.843 . . . . 0.0 117.479 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.03 -27.87 29.43 Favored 'Trans proline' 0 C--N 1.348 0.508 1 CA-C-N 127.505 5.653 . . . . 0.0 113.303 -157.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -63.38 -44.92 93.35 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -72.88 -39.85 66.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.223 -0.923 . . . . 0.0 112.288 171.454 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -60.19 -40.81 91.33 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.275 -1.516 . . . . 0.0 112.65 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 t -59.76 -45.28 92.72 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.087 1.755 . . . . 0.0 114.239 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.38 -43.53 60.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.707 -1.246 . . . . 0.0 113.336 177.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.4 -42.34 95.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 124.496 1.118 . . . . 0.0 112.385 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -96.13 17.52 15.46 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.281 -1.512 . . . . 0.0 111.755 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.73 17.89 4.33 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 157.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -81.14 -21.05 40.08 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 118.974 -2.329 . . . . 0.0 112.477 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.24 0.562 0 O-C-N 120.092 -1.63 . . . . 0.0 111.784 175.889 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 122.55 1.167 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.29 -43.39 96.56 Favored Pre-proline 0 N--CA 1.448 -0.56 0 CA-C-O 115.778 -2.058 . . . . 0.0 116.055 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -71.03 -38.23 5.29 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 CA-C-N 126.562 3.379 . . . . 0.0 112.482 -176.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 pt -66.69 -40.28 85.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 119.241 0.928 . . . . 0.0 112.055 174.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.96 -44.86 95.86 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.481 1.112 . . . . 0.0 112.466 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.04 99.77 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.656 -1.277 . . . . 0.0 113.363 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 t -62.3 -48.22 80.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.324 -0.86 . . . . 0.0 113.272 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.51 -37.1 84.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.037 -1.664 . . . . 0.0 113.032 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.74 96.49 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 120.791 -1.193 . . . . 0.0 113.497 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.16 95.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.694 -1.254 . . . . 0.0 113.255 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -63.94 -41.56 97.58 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.35 13.43 0.24 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 37.46 2.31 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 116.449 -2.306 . . . . 0.0 117.121 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.17 -23.19 10.59 Favored 'Trans proline' 0 CA--C 1.515 -0.468 1 CA-C-N 126.453 5.126 . . . . 0.0 110.824 -167.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.7 -44.09 87.2 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.909 0.883 . . . . 0.0 113.216 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.49 -40.38 77.06 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.517 -1.364 . . . . 0.0 111.914 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -61.19 -42.67 99.0 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.866 -1.146 . . . . 0.0 113.344 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -65.04 -32.69 74.53 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.278 -1.514 . . . . 0.0 114.056 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.7 mt -68.72 -49.73 56.5 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.478 -1.388 . . . . 0.0 112.645 171.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.47 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 125.205 1.402 . . . . 0.0 112.84 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -91.75 7.33 42.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.078 -1.639 . . . . 0.0 112.091 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.294 47.2 tptt 48.76 60.62 3.57 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.764 2.026 . . . . 0.0 114.35 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -115.76 -8.62 12.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.517 -1.364 . . . . 0.0 110.337 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--O 1.242 0.674 0 O-C-N 120.093 -1.629 . . . . 0.0 110.837 167.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 N--CA 1.438 -1.074 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp -152.42 10.03 0.01 OUTLIER Pre-proline 0 C--N 1.348 0.542 0 N-CA-C 118.602 2.815 . . . . 0.0 118.602 -173.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.16 -46.03 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.48 1 CA-C-N 129.331 4.368 . . . . 0.0 113.364 -167.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.6 pt -65.84 -38.68 82.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 CA-C-N 118.895 0.77 . . . . 0.0 112.455 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.98 -44.04 97.14 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.517 1.127 . . . . 0.0 112.442 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.766 -1.209 . . . . 0.0 112.919 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.25 -48.01 81.82 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 119.569 -1.957 . . . . 0.0 113.385 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.22 98.88 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.692 1.197 . . . . 0.0 113.911 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.1 97.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.151 -1.593 . . . . 0.0 112.917 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.498 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -64.89 -40.29 94.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 179.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.9 16.36 0.67 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -128.65 41.05 1.62 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-O 117.168 -1.907 . . . . 0.0 115.127 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -67.89 -29.6 34.47 Favored 'Trans proline' 0 N--CA 1.461 -0.436 1 CA-C-N 124.845 4.322 . . . . 0.0 112.732 -169.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -66.68 -44.26 82.27 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 119.258 0.935 . . . . 0.0 113.386 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.44 -39.97 85.44 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.418 -1.426 . . . . 0.0 111.947 172.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -61.95 -39.68 92.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.224 -1.548 . . . . 0.0 113.221 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 p -66.31 -43.62 85.72 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.138 -1.601 . . . . 0.0 114.536 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 3.2 pp -68.79 -43.07 76.44 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.506 -1.371 . . . . 0.0 114.422 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.97 -42.11 88.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -104.24 21.9 15.73 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.001 -1.687 . . . . 0.0 111.235 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.262 0.3 OUTLIER 52.14 49.12 21.3 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.528 1.931 . . . . 0.0 115.957 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -94.99 -7.85 38.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 119.872 -1.767 . . . . 0.0 109.885 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.24 0.591 0 O-C-N 120.626 -1.296 . . . . 0.0 110.59 167.038 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.444 -0.733 0 CA-C-O 121.656 0.741 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 mp 56.07 46.78 2.57 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -73.03 -39.19 2.36 Favored 'Trans proline' 0 C--N 1.344 0.296 0 CA-C-N 123.805 2.395 . . . . 0.0 112.239 -168.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -64.66 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 124.067 0.947 . . . . 0.0 112.448 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.52 -43.45 97.13 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.784 1.234 . . . . 0.0 111.994 173.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.41 98.91 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.809 -1.182 . . . . 0.0 113.246 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.28 -48.28 80.6 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.25 3.4 pp -66.99 -35.51 80.12 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 119.734 -1.854 . . . . 0.0 113.15 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.13 99.37 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.761 -1.212 . . . . 0.0 113.344 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.38 88.36 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.515 -1.365 . . . . 0.0 113.506 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -63.81 -40.78 97.45 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -155.53 9.29 0.28 Allowed 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.963 -1.711 . . . . 0.0 115.43 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.2 19.18 35.12 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-O 115.182 -3.01 . . . . 0.0 117.836 172.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.15 -20.15 16.85 Favored 'Trans proline' 0 CA--C 1.511 -0.629 1 CA-C-N 128.06 5.93 . . . . 0.0 112.718 -151.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 119.496 1.044 . . . . 0.0 112.644 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.83 -45.35 86.55 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 124.0 0.92 . . . . 0.0 111.402 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.12 -40.69 94.72 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.544 -1.348 . . . . 0.0 112.486 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.57 -45.63 93.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.769 1.628 . . . . 0.0 114.025 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.69 -45.63 43.09 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.323 -1.486 . . . . 0.0 113.683 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.58 -42.21 95.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.994 -1.066 . . . . 0.0 112.883 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 p -94.64 9.11 40.03 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.926 -1.734 . . . . 0.0 111.925 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 tptm 58.32 60.48 2.61 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -24.84 15.28 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.088 -1.632 . . . . 0.0 108.554 159.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--N 1.348 0.534 0 O-C-N 120.191 -1.568 . . . . 0.0 111.057 -179.435 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 122.365 1.078 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -94.73 -0.44 0.08 OUTLIER Pre-proline 0 N--CA 1.446 -0.651 0 CA-C-O 114.067 -2.873 . . . . 0.0 118.473 -170.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.19 -39.35 4.02 Favored 'Trans proline' 0 C--N 1.349 0.595 1 CA-C-N 130.244 4.694 . . . . 0.0 112.764 -167.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.2 pt -66.14 -39.57 84.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 CA-C-N 118.99 0.814 . . . . 0.0 112.299 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.59 -44.53 96.07 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.109 -0.994 . . . . 0.0 112.268 174.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.32 96.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.995 -1.066 . . . . 0.0 112.988 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.63 -47.92 81.62 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.25 -0.906 . . . . 0.0 113.291 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.254 3.0 pp -66.06 -39.68 90.28 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.672 -1.893 . . . . 0.0 113.297 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.54 93.61 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.347 1.459 . . . . 0.0 113.927 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.39 98.57 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 119.938 -1.727 . . . . 0.0 112.378 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HZ1' ' HB3' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -63.91 -36.37 83.71 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.3 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.75 11.65 0.43 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.3 48.26 0.79 Allowed Glycine 0 C--N 1.344 1.023 0 O-C-N 119.509 -1.994 . . . . 0.0 115.34 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.97 -17.5 19.57 Favored 'Trans proline' 0 N--CA 1.46 -0.471 1 CA-C-N 124.467 4.134 . . . . 0.0 111.203 -170.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -63.62 -42.8 98.16 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -40.57 79.62 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.233 -1.542 . . . . 0.0 112.22 171.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -61.9 -44.25 97.19 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.516 -1.365 . . . . 0.0 112.903 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -65.94 -36.63 83.87 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.12 -43.3 71.29 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 119.981 -1.7 . . . . 0.0 113.237 173.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.39 -41.17 90.71 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.653 1.181 . . . . 0.0 112.678 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.8 p -91.23 10.45 27.11 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.946 -1.721 . . . . 0.0 111.631 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.273 26.0 tptp 42.95 57.55 3.6 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 128.753 2.821 . . . . 0.0 114.747 -177.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -13.91 15.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.354 -1.466 . . . . 0.0 109.418 173.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 C--O 1.241 0.645 0 O-C-N 120.604 -1.31 . . . . 0.0 111.293 170.45 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.443 -0.784 0 CA-C-O 121.562 0.696 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.6 mt 50.6 55.73 16.81 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.36 -29.11 63.14 Favored 'Trans proline' 0 CA--C 1.518 -0.288 0 C-N-CA 123.247 2.632 . . . . 0.0 112.426 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -61.48 -38.29 79.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 124.863 1.265 . . . . 0.0 112.924 172.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.15 -43.59 86.57 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.998 -1.064 . . . . 0.0 111.639 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.55 98.61 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.921 -1.112 . . . . 0.0 112.915 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.33 -47.63 83.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.55 -37.17 84.4 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 119.831 -1.793 . . . . 0.0 113.065 176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.72 93.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.76 -1.212 . . . . 0.0 113.16 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.07 98.74 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 121.131 -0.981 . . . . 0.0 113.569 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -163.2 12.78 0.06 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -175.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.99 40.62 1.71 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-O 116.786 -2.119 . . . . 0.0 116.723 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.62 -22.16 8.08 Favored 'Trans proline' 0 CA--C 1.513 -0.574 1 CA-C-N 125.956 4.878 . . . . 0.0 111.021 -165.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -44.09 95.5 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' H ' HD21 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.07 -41.92 85.6 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.809 -1.182 . . . . 0.0 112.456 172.592 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -61.04 -41.59 96.87 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.743 1.217 . . . . 0.0 112.444 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 m -58.73 -39.93 82.31 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.464 1.506 . . . . 0.0 114.291 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.06 -47.44 65.33 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.206 -0.934 . . . . 0.0 112.859 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.95 1.3 . . . . 0.0 112.607 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -93.51 6.81 46.97 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.258 -1.526 . . . . 0.0 111.592 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 51.0 59.38 4.66 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 127.492 2.317 . . . . 0.0 114.024 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -36.14 3.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 120.406 -1.434 . . . . 0.0 112.736 -175.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 CA--C 1.512 -0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.262 -175.15 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.444 -0.725 0 CA-C-O 122.792 1.282 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mp -89.14 -7.05 0.11 Allowed Pre-proline 0 N--CA 1.444 -0.726 0 CA-C-O 113.904 -2.951 . . . . 0.0 118.479 -170.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.08 -34.17 14.01 Favored 'Trans proline' 0 C--N 1.35 0.612 1 CA-C-N 130.481 4.779 . . . . 0.0 112.095 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.2 pt -64.36 -41.49 92.49 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.779 0.832 . . . . 0.0 112.348 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.17 -43.34 99.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.696 1.199 . . . . 0.0 112.055 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.3 99.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.737 -1.227 . . . . 0.0 113.252 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.3 t -62.3 -48.95 77.62 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.11 -34.59 77.94 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.892 -1.755 . . . . 0.0 113.279 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.41 95.91 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.613 -1.305 . . . . 0.0 113.552 172.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.57 81.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.974 -1.079 . . . . 0.0 113.559 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -39.75 94.23 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.28 2.93 0.06 Allowed 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.03 23.16 37.05 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-O 115.348 -2.918 . . . . 0.0 119.015 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -75.77 -19.4 16.31 Favored 'Trans proline' 0 N--CA 1.459 -0.541 1 CA-C-N 128.578 6.189 . . . . 0.0 112.224 -160.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -64.79 -46.82 80.44 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.684 1.129 . . . . 0.0 113.421 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.08 -40.7 78.29 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.109 -0.994 . . . . 0.0 112.038 173.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.21 -34.91 75.85 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.106 -1.621 . . . . 0.0 113.068 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -61.99 -49.56 75.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.41 -1.431 . . . . 0.0 113.86 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.88 -43.12 65.94 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.484 -1.385 . . . . 0.0 114.35 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.08 -41.15 85.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 124.524 1.13 . . . . 0.0 113.852 -173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 p -96.14 14.79 22.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.82 -1.8 . . . . 0.0 112.19 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.274 30.1 tptt 54.86 45.98 25.43 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 124.669 2.176 . . . . 0.0 112.765 -174.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -102.25 -0.01 33.66 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 119.707 -1.871 . . . . 0.0 109.97 -174.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.441 -1.412 . . . . 0.0 109.878 167.493 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.636 0.732 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.7 mt 54.03 48.25 4.56 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 175.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.9 -38.78 2.72 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-N 122.963 2.094 . . . . 0.0 112.436 -164.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 pt -66.41 -35.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.346 0.447 0 CA-C-N 118.831 0.742 . . . . 0.0 112.553 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.05 -43.28 96.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.969 -1.082 . . . . 0.0 111.974 173.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.04 99.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.85 -1.156 . . . . 0.0 112.923 173.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 t -62.26 -47.88 82.38 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.92 -34.85 78.68 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.81 -1.806 . . . . 0.0 113.137 176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.525 -1.359 . . . . 0.0 112.98 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.515 -1.366 . . . . 0.0 113.622 170.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.51 -39.95 94.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.65 -0.56 0.04 OUTLIER 'General case' 0 C--N 1.35 0.601 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 175.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.64 44.62 1.47 Allowed Glycine 0 C--N 1.35 1.343 0 CA-C-O 116.16 -2.467 . . . . 0.0 117.175 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -82.21 -28.17 2.05 Favored 'Trans proline' 0 CA--C 1.508 -0.786 1 CA-C-N 127.043 5.422 . . . . 0.0 111.765 -158.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -63.8 -41.12 97.98 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.467 1.031 . . . . 0.0 113.488 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.88 -43.76 95.07 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.908 -1.12 . . . . 0.0 113.101 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.71 -41.62 98.07 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.135 -1.603 . . . . 0.0 112.018 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.45 -42.31 99.37 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.561 1.545 . . . . 0.0 114.304 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -71.85 -43.4 65.58 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.268 -1.52 . . . . 0.0 114.261 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.61 -42.03 94.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 O-C-N 121.067 -1.021 . . . . 0.0 111.644 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -89.47 34.03 0.82 Allowed 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.064 -1.648 . . . . 0.0 112.616 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 tptt 69.55 -22.29 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 129.208 3.003 . . . . 0.0 117.75 168.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -61.94 -43.26 99.21 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.241 0.653 0 O-C-N 120.578 -1.327 . . . . 0.0 111.382 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 N--CA 1.439 -1.009 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -154.01 13.06 0.01 OUTLIER Pre-proline 0 C--N 1.348 0.517 0 N-CA-C 118.469 2.766 . . . . 0.0 118.469 -172.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.42 -40.66 13.78 Favored 'Trans proline' 0 C--N 1.347 0.458 1 CA-C-N 129.065 4.273 . . . . 0.0 113.154 -173.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.8 pt -64.49 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 124.193 0.997 . . . . 0.0 112.534 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.69 -44.19 94.41 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.259 1.424 . . . . 0.0 111.987 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.36 99.01 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.675 -1.265 . . . . 0.0 112.999 173.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.36 -47.94 81.98 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.34 -37.13 84.63 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.772 -1.83 . . . . 0.0 113.165 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.87 96.99 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.95 -1.094 . . . . 0.0 113.367 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.77 84.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -63.24 -45.12 93.07 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.71 3.22 0.03 OUTLIER 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -174.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.19 23.85 33.07 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 115.293 -2.948 . . . . 0.0 118.253 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.25 -21.63 15.2 Favored 'Trans proline' 0 N--CA 1.46 -0.476 1 CA-C-N 128.512 6.156 . . . . 0.0 112.191 -160.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.04 -44.64 88.44 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.44 1.018 . . . . 0.0 113.232 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.73 -39.8 84.24 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.974 -1.079 . . . . 0.0 112.611 173.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -59.5 -40.44 87.05 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.612 -1.305 . . . . 0.0 112.372 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 t -59.9 -50.67 72.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.277 2.6 pt? -73.65 -42.33 61.53 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.31 -1.494 . . . . 0.0 113.779 178.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.93 -37.92 78.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 124.645 1.178 . . . . 0.0 112.727 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -95.29 9.35 40.15 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.349 -1.47 . . . . 0.0 112.98 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.28 27.0 tptt 53.82 44.31 29.72 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 124.666 2.174 . . . . 0.0 112.995 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -98.47 -4.96 33.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 119.676 -1.89 . . . . 0.0 109.73 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.241 0.639 0 O-C-N 120.464 -1.397 . . . . 0.0 110.417 172.005 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 N--CA 1.438 -1.035 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.22 9.09 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.513 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 -172.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.55 -38.93 13.25 Favored 'Trans proline' 0 C--N 1.35 0.634 1 CA-C-N 129.346 4.374 . . . . 0.0 112.58 -175.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.18 -39.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 124.293 1.037 . . . . 0.0 112.489 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.92 -44.44 92.89 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.145 1.378 . . . . 0.0 112.151 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.26 99.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.732 -1.23 . . . . 0.0 112.936 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 t -62.23 -48.38 80.23 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.47 -35.6 80.67 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.906 -1.747 . . . . 0.0 113.176 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.77 95.28 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.749 -1.22 . . . . 0.0 113.094 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.84 87.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.855 -1.153 . . . . 0.0 113.665 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -38.94 92.36 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.97 -0.6 0.03 OUTLIER 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 174.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.06 34.9 5.44 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 115.609 -2.773 . . . . 0.0 118.502 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -79.61 -21.02 8.94 Favored 'Trans proline' 0 CA--C 1.511 -0.661 1 CA-C-N 128.013 5.907 . . . . 0.0 111.237 -162.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.91 -43.27 96.48 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.52 -41.71 83.94 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.975 -1.078 . . . . 0.0 112.596 172.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -61.53 -41.77 97.82 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.368 -1.458 . . . . 0.0 112.32 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.12 -43.72 95.42 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.259 3.5 pp -72.26 -43.22 64.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.208 -1.558 . . . . 0.0 113.687 174.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.38 -41.78 93.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.581 1.152 . . . . 0.0 112.832 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -92.11 11.83 24.13 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.022 -1.673 . . . . 0.0 111.573 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 19.5 tptm 45.4 60.44 3.05 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.126 2.57 . . . . 0.0 114.369 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -12.18 15.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.163 -1.586 . . . . 0.0 109.674 173.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.348 0.501 0 O-C-N 121.0 -1.063 . . . . 0.0 110.057 174.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 N--CA 1.442 -0.833 0 CA-C-O 123.309 1.528 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -64.05 -34.45 11.93 Favored Pre-proline 0 N--CA 1.445 -0.694 0 N-CA-C 119.46 3.133 . . . . 0.0 119.46 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.71 -37.8 11.57 Favored 'Trans proline' 0 C--N 1.347 0.49 1 CA-C-N 128.912 4.219 . . . . 0.0 113.386 -168.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -65.1 -41.51 92.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-N 119.138 0.881 . . . . 0.0 112.026 173.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.83 -44.62 95.67 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 125.261 1.424 . . . . 0.0 111.922 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.16 98.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 120.55 -1.344 . . . . 0.0 113.239 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.25 -49.87 73.99 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.66 -37.42 84.76 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.064 -1.647 . . . . 0.0 113.14 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.454 -1.404 . . . . 0.0 113.612 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.41 83.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 120.416 -1.427 . . . . 0.0 113.611 167.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.7 7.71 0.36 Allowed 'General case' 0 C--N 1.348 0.501 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.45 26.35 18.63 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-O 115.449 -2.862 . . . . 0.0 118.389 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.91 -32.58 54.65 Favored 'Trans proline' 0 N--CA 1.462 -0.371 1 CA-C-N 127.466 5.633 . . . . 0.0 114.727 -160.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.93 -45.87 80.3 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 119.879 1.218 . . . . 0.0 113.532 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.29 -36.91 80.07 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.732 -1.23 . . . . 0.0 112.321 173.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.74 -44.68 90.58 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.891 -1.131 . . . . 0.0 111.758 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.97 -49.7 75.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.91 -40.24 91.3 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.52 -51.24 65.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.361 -1.462 . . . . 0.0 111.895 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 p -67.07 -37.79 84.61 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 91.01 17.92 0.03 OUTLIER 'General case' 0 C--N 1.352 0.683 0 C-N-CA 128.301 2.64 . . . . 0.0 112.281 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.73 -36.53 84.17 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.554 -1.341 . . . . 0.0 114.387 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.511 -0.553 0 O-C-N 120.879 -1.138 . . . . 0.0 108.888 178.168 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 121.659 0.742 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.5 mt 51.32 53.94 14.24 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 117.163 2.283 . . . . 0.0 117.163 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.0 -31.12 47.09 Favored 'Trans proline' 0 CA--C 1.518 -0.297 0 C-N-CA 123.195 2.597 . . . . 0.0 112.555 -171.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -62.73 -38.93 82.96 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.454 1.102 . . . . 0.0 112.898 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.7 -43.17 85.11 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.929 -1.107 . . . . 0.0 111.188 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.62 98.5 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 173.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -62.45 -48.0 81.57 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.34 -37.18 84.74 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 119.673 -1.892 . . . . 0.0 113.162 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.37 97.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 120.68 -1.263 . . . . 0.0 113.136 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.79 94.05 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.007 -1.058 . . . . 0.0 113.799 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -62.35 -44.91 95.38 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.4 1.57 0.03 OUTLIER 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.11 19.96 39.25 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-O 114.888 -3.173 . . . . 0.0 118.282 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.55 -24.57 55.96 Favored 'Trans proline' 0 CA--C 1.514 -0.482 1 CA-C-N 127.978 5.889 . . . . 0.0 114.762 -151.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -60.86 -37.58 82.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -42.32 94.94 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.695 1.588 . . . . 0.0 112.809 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.09 97.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.492 -1.38 . . . . 0.0 111.384 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 m -60.65 -42.68 97.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.83 -44.56 55.34 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.989 1.268 . . . . 0.0 113.366 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.77 -40.27 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 121.062 -1.024 . . . . 0.0 112.244 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.6 p -96.81 20.69 10.6 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.534 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 tptt 68.3 -19.66 0.15 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -56.39 -42.15 77.46 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 116.812 2.152 . . . . 0.0 116.812 -169.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.241 0.657 0 O-C-N 120.36 -1.463 . . . . 0.0 111.783 -177.05 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.5 t80 . . . . . 0 N--CA 1.436 -1.154 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -159.73 -1.2 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.552 0 N-CA-C 119.314 3.079 . . . . 0.0 119.314 -172.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.08 -36.1 13.3 Favored 'Trans proline' 0 C--N 1.348 0.51 1 CA-C-N 130.229 4.689 . . . . 0.0 112.081 -177.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -63.67 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 124.055 0.942 . . . . 0.0 112.344 171.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.98 -44.41 92.77 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.361 1.464 . . . . 0.0 111.867 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.26 99.23 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 120.801 -1.187 . . . . 0.0 113.09 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 t -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.61 -36.62 83.06 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 119.749 -1.844 . . . . 0.0 113.204 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.57 96.58 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.787 -1.196 . . . . 0.0 113.375 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.36 88.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 172.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -62.65 -44.86 95.2 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.86 1.88 0.03 OUTLIER 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.6 16.53 58.7 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-O 114.925 -3.153 . . . . 0.0 118.981 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.95 -22.73 12.93 Favored 'Trans proline' 0 CA--C 1.512 -0.592 1 CA-C-N 128.563 6.182 . . . . 0.0 112.28 -155.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -65.19 -42.63 93.4 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 118.978 0.808 . . . . 0.0 112.711 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.39 86.37 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 121.151 -0.968 . . . . 0.0 110.94 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -61.94 -42.16 98.79 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 113.635 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.363 -1.461 . . . . 0.0 114.131 174.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.49 -51.53 59.36 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.664 -1.273 . . . . 0.0 113.174 171.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.39 -42.99 96.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.169 0.988 . . . . 0.0 112.854 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 p -98.83 15.97 23.78 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.025 -1.672 . . . . 0.0 112.081 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tptm 55.96 57.51 5.08 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -111.07 -1.81 16.12 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.105 -1.622 . . . . 0.0 109.813 160.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--N 1.347 0.498 0 O-C-N 120.096 -1.628 . . . . 0.0 109.21 168.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 N--CA 1.444 -0.752 0 CA-C-O 122.556 1.17 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -95.86 -5.49 0.11 Allowed Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 119.162 3.023 . . . . 0.0 119.162 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -75.09 -39.5 1.16 Allowed 'Trans proline' 0 C--N 1.349 0.571 1 CA-C-N 130.107 4.645 . . . . 0.0 111.773 -171.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -39.48 85.62 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 124.374 1.069 . . . . 0.0 112.05 172.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 125.215 1.406 . . . . 0.0 112.169 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.93 99.8 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.533 -1.355 . . . . 0.0 113.198 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.1 t -62.27 -48.64 79.04 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.75 -35.29 79.76 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.895 -1.753 . . . . 0.0 113.064 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.08 97.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.655 -1.278 . . . . 0.0 113.337 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.48 83.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.764 -1.21 . . . . 0.0 113.623 169.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -39.72 94.2 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.82 2.81 0.07 Allowed 'General case' 0 C--N 1.347 0.49 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.58 21.09 45.5 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 115.301 -2.944 . . . . 0.0 118.955 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.14 -26.09 13.09 Favored 'Trans proline' 0 CA--C 1.513 -0.562 1 CA-C-N 128.381 6.09 . . . . 0.0 112.529 -158.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -65.49 -44.9 85.61 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.68 1.127 . . . . 0.0 113.294 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -67.46 -40.68 85.37 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.479 -1.388 . . . . 0.0 112.468 172.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -59.52 -42.31 91.96 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.81 -1.181 . . . . 0.0 112.46 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 t -59.32 -43.85 92.65 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 126.143 1.777 . . . . 0.0 113.359 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.66 -50.92 39.48 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.91 -40.9 90.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 112.913 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.9 p -104.29 20.56 18.18 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 120.522 -1.361 . . . . 0.0 111.605 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.27 39.6 tptt 54.68 53.52 10.49 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 168.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -101.38 -6.73 23.68 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 119.657 -1.902 . . . . 0.0 110.283 166.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.24 0.596 0 O-C-N 119.961 -1.712 . . . . 0.0 111.336 178.455 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 CA--C 1.517 -0.334 0 CA-C-O 119.166 -0.431 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -66.42 -39.94 85.33 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 119.207 0.912 . . . . 0.0 111.975 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.377 1.071 . . . . 0.0 112.413 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.86 99.74 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.438 -1.414 . . . . 0.0 113.274 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.9 t -62.96 -44.97 94.59 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.88 -1.138 . . . . 0.0 113.794 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.31 -34.93 75.42 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.911 -1.743 . . . . 0.0 112.877 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.08 97.9 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.684 -1.26 . . . . 0.0 113.389 172.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.9 97.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.28 3.5 0.08 Allowed 'General case' 0 C--N 1.349 0.545 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.0 18.61 45.84 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-O 115.031 -3.094 . . . . 0.0 119.04 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.19 -22.32 19.25 Favored 'Trans proline' 0 CA--C 1.514 -0.478 1 CA-C-N 128.567 6.184 . . . . 0.0 112.051 -161.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.68 -45.1 88.1 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 123.805 0.842 . . . . 0.0 113.12 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -72.28 -39.8 68.08 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.986 171.679 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -61.08 -42.26 98.16 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.354 -1.466 . . . . 0.0 113.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.419 -1.426 . . . . 0.0 114.619 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.263 3.5 pp -71.69 -44.15 64.71 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.986 -1.696 . . . . 0.0 113.072 175.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.22 -42.75 97.6 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 C-N-CA 124.24 1.016 . . . . 0.0 112.768 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 p -95.84 17.38 15.3 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.943 -1.723 . . . . 0.0 112.137 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.312 38.9 tptt 48.73 58.33 5.4 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 128.427 2.691 . . . . 0.0 115.699 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -119.86 -0.95 10.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.318 -1.489 . . . . 0.0 110.676 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.457 -1.402 . . . . 0.0 110.064 166.859 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--O 1.231 0.14 0 N-CA-C 113.11 0.389 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -64.66 -38.67 83.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 124.122 0.969 . . . . 0.0 112.419 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.57 -44.54 93.8 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.307 1.443 . . . . 0.0 112.004 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.13 99.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.744 -1.223 . . . . 0.0 113.046 173.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.3 -48.31 80.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.87 -35.66 80.53 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 119.833 -1.792 . . . . 0.0 113.033 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.26 97.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.774 -1.203 . . . . 0.0 113.442 173.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.97 88.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.904 -1.122 . . . . 0.0 113.449 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.28 -41.05 97.08 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 7.18 0.13 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.32 20.27 35.46 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 115.215 -2.992 . . . . 0.0 118.211 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.99 -29.69 14.67 Favored 'Trans proline' 0 CA--C 1.513 -0.528 1 CA-C-N 128.308 6.054 . . . . 0.0 112.786 -157.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.51 -43.03 91.34 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.37 -40.08 81.57 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.662 -1.274 . . . . 0.0 112.267 173.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -61.8 -39.2 90.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.611 -1.306 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.94 -43.76 94.77 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.84 1.656 . . . . 0.0 113.158 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.94 -52.25 38.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.993 -1.067 . . . . 0.0 113.311 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.24 -41.91 94.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 C-N-CA 125.23 1.412 . . . . 0.0 112.796 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -93.46 8.79 39.2 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.958 -1.714 . . . . 0.0 111.894 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.265 0.6 OUTLIER 78.28 23.44 0.7 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.948 1.699 . . . . 0.0 114.419 164.649 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -44.07 70.68 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.047 -2.283 . . . . 0.0 111.548 170.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.238 0.485 0 O-C-N 120.564 -1.335 . . . . 0.0 113.525 -172.723 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 N--CA 1.463 -0.306 0 CA-C-O 119.283 -0.382 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.6 pt -67.21 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 111.949 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.07 -44.64 96.24 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 112.461 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.17 98.97 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.574 -1.328 . . . . 0.0 113.334 173.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -61.75 -48.06 82.39 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.147 -0.971 . . . . 0.0 113.454 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.61 -36.31 80.59 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.998 -1.689 . . . . 0.0 113.28 174.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.89 97.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 120.71 -1.244 . . . . 0.0 113.615 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.35 84.23 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 121.006 -1.059 . . . . 0.0 113.66 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -65.74 -40.91 92.61 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -156.79 -5.24 0.1 Allowed 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.087 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.09 17.37 58.17 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 114.942 -3.143 . . . . 0.0 119.765 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.74 -27.03 12.98 Favored 'Trans proline' 0 CA--C 1.514 -0.518 1 CA-C-N 128.794 6.297 . . . . 0.0 112.652 -157.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.55 -45.85 81.8 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.453 1.024 . . . . 0.0 113.382 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.29 -38.74 81.95 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.815 -1.178 . . . . 0.0 112.332 173.404 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.23 -40.61 90.81 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.556 -1.34 . . . . 0.0 112.941 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.34 -41.32 93.35 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.508 -1.37 . . . . 0.0 113.254 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.63 -43.9 83.47 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.672 -1.267 . . . . 0.0 114.081 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.86 -48.04 89.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.158 -1.589 . . . . 0.0 112.413 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 p -63.28 -36.76 84.75 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 113.28 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 90.87 22.22 0.03 OUTLIER 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.786 2.434 . . . . 0.0 112.28 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -18.46 57.85 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.29 -1.506 . . . . 0.0 110.678 169.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.446 -0.656 0 C-N-CA 125.309 1.444 . . . . 0.0 107.658 169.029 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 CA--C 1.516 -0.41 0 CA-C-O 119.04 -0.483 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 pt -65.94 -40.83 88.52 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 CA-C-N 119.131 0.878 . . . . 0.0 112.012 174.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.97 -44.7 96.2 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.438 1.095 . . . . 0.0 112.512 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.96 99.82 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.502 -1.373 . . . . 0.0 113.464 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.25 -48.59 79.29 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 123.861 0.865 . . . . 0.0 113.24 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.6 -36.73 83.33 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.062 -1.649 . . . . 0.0 113.031 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.18 97.52 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 120.806 -1.184 . . . . 0.0 113.799 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.38 93.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.712 -1.242 . . . . 0.0 113.152 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.2 -41.72 96.95 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.29 14.25 0.25 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.27 39.43 2.01 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 116.768 -2.129 . . . . 0.0 116.662 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -75.18 -28.98 8.41 Favored 'Trans proline' 0 N--CA 1.459 -0.508 1 CA-C-N 125.824 4.812 . . . . 0.0 111.764 -166.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -67.0 -44.13 81.15 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 119.21 0.914 . . . . 0.0 113.434 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.04 -41.26 91.11 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.949 -1.719 . . . . 0.0 111.948 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -62.36 -38.78 90.88 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.561 -1.337 . . . . 0.0 113.617 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -65.12 -41.57 94.76 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.931 -1.731 . . . . 0.0 113.727 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.87 -47.51 77.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.832 -1.167 . . . . 0.0 113.912 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.91 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 22.19 16.29 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.121 -1.612 . . . . 0.0 111.928 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 tptm 57.06 49.26 14.06 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 123.556 1.646 . . . . 0.0 114.895 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -103.52 -0.27 30.04 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.65 -1.906 . . . . 0.0 110.546 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m . . . . . 0 C--N 1.348 0.512 0 O-C-N 120.551 -1.343 . . . . 0.0 109.131 168.761 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.518 -0.294 0 CA-C-O 119.242 -0.399 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.4 pt -66.51 -40.08 85.54 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 118.985 0.811 . . . . 0.0 111.849 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.0 -44.84 95.88 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.383 1.073 . . . . 0.0 112.478 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.6 -1.312 . . . . 0.0 113.369 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.12 -48.29 80.79 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.326 -0.859 . . . . 0.0 113.243 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.83 -35.95 81.24 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.95 -1.719 . . . . 0.0 113.077 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.44 97.27 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.861 -1.149 . . . . 0.0 113.526 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.22 84.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.046 -1.034 . . . . 0.0 113.585 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.45 -41.12 96.73 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.02 5.9 0.1 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.26 17.59 53.46 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 115.128 -3.04 . . . . 0.0 118.926 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.64 -21.49 16.67 Favored 'Trans proline' 0 CA--C 1.514 -0.523 1 CA-C-N 128.686 6.243 . . . . 0.0 111.402 -160.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -43.93 97.35 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 123.981 0.912 . . . . 0.0 112.939 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.489 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -74.66 -41.03 61.04 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.923 0.889 . . . . 0.0 112.366 171.094 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -59.35 -38.71 81.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.134 -1.604 . . . . 0.0 112.744 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 t -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.212 1.805 . . . . 0.0 114.557 173.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.25 3.0 pp -77.35 -42.99 34.45 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.06 -1.65 . . . . 0.0 112.493 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.65 -41.49 90.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 125.03 1.332 . . . . 0.0 112.805 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p -92.66 9.66 33.89 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.06 -1.65 . . . . 0.0 112.035 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.279 48.3 tptt 50.4 61.54 3.15 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 126.271 1.828 . . . . 0.0 114.137 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -112.66 -9.31 13.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 120.17 -1.581 . . . . 0.0 110.269 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.241 0.61 0 O-C-N 120.267 -1.521 . . . . 0.0 110.929 172.673 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 119.821 -0.158 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 pt -63.83 -39.71 86.41 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 124.036 0.934 . . . . 0.0 112.341 171.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.94 -44.58 92.43 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.437 1.495 . . . . 0.0 111.847 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.94 99.67 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.733 -1.229 . . . . 0.0 113.102 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -62.08 -48.34 80.64 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.31 -36.38 81.35 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.944 -1.723 . . . . 0.0 113.41 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.18 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.703 -1.248 . . . . 0.0 113.636 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.12 77.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.33 -41.23 89.94 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.49 -2.44 0.12 Allowed 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.801 -1.187 . . . . 0.0 113.763 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.27 18.52 56.39 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-O 114.971 -3.127 . . . . 0.0 119.26 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.45 -26.69 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.523 1 CA-C-N 128.553 6.177 . . . . 0.0 112.667 -160.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -65.02 -45.05 87.08 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.562 1.074 . . . . 0.0 113.276 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -69.49 -40.44 77.03 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.648 -1.282 . . . . 0.0 112.32 171.845 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.84 -36.31 78.79 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.043 -1.66 . . . . 0.0 113.017 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 120.561 -1.337 . . . . 0.0 113.785 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -71.63 -42.18 67.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.881 -1.137 . . . . 0.0 114.057 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.78 -41.79 86.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -103.32 20.58 17.49 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.093 -1.63 . . . . 0.0 111.761 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.271 35.2 tptt 56.44 49.92 14.03 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 123.69 1.709 . . . . 0.0 114.755 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -98.56 -3.45 36.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 119.221 -2.174 . . . . 0.0 110.762 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.24 0.602 0 O-C-N 120.507 -1.371 . . . . 0.0 110.557 176.314 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 CA--C 1.517 -0.341 0 N-CA-C 112.988 0.342 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -63.04 -39.84 86.73 Favored 'Isoleucine or valine' 0 C--N 1.345 0.403 0 C-N-CA 124.144 0.978 . . . . 0.0 112.7 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.29 -43.64 85.79 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 121.047 -1.033 . . . . 0.0 111.445 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.98 98.65 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.9 -1.125 . . . . 0.0 113.255 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.45 -48.93 77.46 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.66 -36.74 83.25 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 119.841 -1.787 . . . . 0.0 113.059 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.75 98.42 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.604 1.162 . . . . 0.0 113.482 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.85 84.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.412 -1.43 . . . . 0.0 113.623 169.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.32 -41.13 96.96 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -154.63 12.05 0.39 Allowed 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.034 -1.666 . . . . 0.0 115.115 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 20.11 34.66 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-O 115.483 -2.843 . . . . 0.0 117.479 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.03 -27.87 29.43 Favored 'Trans proline' 0 C--N 1.348 0.508 1 CA-C-N 127.505 5.653 . . . . 0.0 113.303 -157.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -63.38 -44.92 93.35 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.504 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -72.88 -39.85 66.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.223 -0.923 . . . . 0.0 112.288 171.454 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -60.19 -40.81 91.33 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.275 -1.516 . . . . 0.0 112.65 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 t -59.76 -45.28 92.72 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.087 1.755 . . . . 0.0 114.239 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.38 -43.53 60.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.707 -1.246 . . . . 0.0 113.336 177.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.4 -42.34 95.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 124.496 1.118 . . . . 0.0 112.385 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -96.13 17.52 15.46 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.281 -1.512 . . . . 0.0 111.755 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.73 17.89 4.33 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 157.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -81.14 -21.05 40.08 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 118.974 -2.329 . . . . 0.0 112.477 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.24 0.562 0 O-C-N 120.092 -1.63 . . . . 0.0 111.784 175.889 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.462 -0.376 0 CA-C-O 119.045 -0.481 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 pt -66.69 -40.28 85.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 119.241 0.928 . . . . 0.0 112.055 174.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.96 -44.86 95.86 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.481 1.112 . . . . 0.0 112.466 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.04 99.77 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.656 -1.277 . . . . 0.0 113.363 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 t -62.3 -48.22 80.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.324 -0.86 . . . . 0.0 113.272 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.51 -37.1 84.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.037 -1.664 . . . . 0.0 113.032 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.74 96.49 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 120.791 -1.193 . . . . 0.0 113.497 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.16 95.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.694 -1.254 . . . . 0.0 113.255 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -63.94 -41.56 97.58 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.35 13.43 0.24 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 37.46 2.31 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 116.449 -2.306 . . . . 0.0 117.121 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.17 -23.19 10.59 Favored 'Trans proline' 0 CA--C 1.515 -0.468 1 CA-C-N 126.453 5.126 . . . . 0.0 110.824 -167.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.7 -44.09 87.2 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.909 0.883 . . . . 0.0 113.216 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.49 -40.38 77.06 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.517 -1.364 . . . . 0.0 111.914 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -61.19 -42.67 99.0 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.866 -1.146 . . . . 0.0 113.344 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -65.04 -32.69 74.53 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.278 -1.514 . . . . 0.0 114.056 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.7 mt -68.72 -49.73 56.5 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.478 -1.388 . . . . 0.0 112.645 171.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.47 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 125.205 1.402 . . . . 0.0 112.84 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -91.75 7.33 42.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.078 -1.639 . . . . 0.0 112.091 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.294 47.2 tptt 48.76 60.62 3.57 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.764 2.026 . . . . 0.0 114.35 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -115.76 -8.62 12.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.517 -1.364 . . . . 0.0 110.337 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--O 1.242 0.674 0 O-C-N 120.093 -1.629 . . . . 0.0 110.837 167.887 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 C--O 1.231 0.164 0 N-CA-C 113.364 0.486 . . . . 0.0 113.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.6 pt -65.84 -38.68 82.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 CA-C-N 118.895 0.77 . . . . 0.0 112.455 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.98 -44.04 97.14 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.517 1.127 . . . . 0.0 112.442 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.766 -1.209 . . . . 0.0 112.919 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.25 -48.01 81.82 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 119.569 -1.957 . . . . 0.0 113.385 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.22 98.88 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.692 1.197 . . . . 0.0 113.911 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.1 97.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.151 -1.593 . . . . 0.0 112.917 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.29 94.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.9 16.36 0.67 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -128.65 41.05 1.62 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-O 117.168 -1.907 . . . . 0.0 115.127 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -67.89 -29.6 34.47 Favored 'Trans proline' 0 N--CA 1.461 -0.436 1 CA-C-N 124.845 4.322 . . . . 0.0 112.732 -169.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -66.68 -44.26 82.27 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 119.258 0.935 . . . . 0.0 113.386 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.44 -39.97 85.44 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.418 -1.426 . . . . 0.0 111.947 172.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -61.95 -39.68 92.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.224 -1.548 . . . . 0.0 113.221 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 p -66.31 -43.62 85.72 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.138 -1.601 . . . . 0.0 114.536 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 3.2 pp -68.79 -43.07 76.44 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.506 -1.371 . . . . 0.0 114.422 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.97 -42.11 88.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -104.24 21.9 15.73 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.001 -1.687 . . . . 0.0 111.235 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.262 0.3 OUTLIER 52.14 49.12 21.3 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.528 1.931 . . . . 0.0 115.957 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -94.99 -7.85 38.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 119.872 -1.767 . . . . 0.0 109.885 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.24 0.591 0 O-C-N 120.626 -1.296 . . . . 0.0 110.59 167.038 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 CA--C 1.519 -0.264 0 CA-C-O 119.957 -0.101 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -64.66 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 124.067 0.947 . . . . 0.0 112.448 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.52 -43.45 97.13 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.784 1.234 . . . . 0.0 111.994 173.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.41 98.91 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.809 -1.182 . . . . 0.0 113.246 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.28 -48.28 80.6 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.25 3.4 pp -66.99 -35.51 80.12 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 119.734 -1.854 . . . . 0.0 113.15 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.13 99.37 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.761 -1.212 . . . . 0.0 113.344 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.38 88.36 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.515 -1.365 . . . . 0.0 113.506 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -63.81 -40.78 97.45 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -155.53 9.29 0.28 Allowed 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.963 -1.711 . . . . 0.0 115.43 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.2 19.18 35.12 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-O 115.182 -3.01 . . . . 0.0 117.836 172.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.15 -20.15 16.85 Favored 'Trans proline' 0 CA--C 1.511 -0.629 1 CA-C-N 128.06 5.93 . . . . 0.0 112.718 -151.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 119.496 1.044 . . . . 0.0 112.644 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.83 -45.35 86.55 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 124.0 0.92 . . . . 0.0 111.402 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.12 -40.69 94.72 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.544 -1.348 . . . . 0.0 112.486 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.57 -45.63 93.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.769 1.628 . . . . 0.0 114.025 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.69 -45.63 43.09 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.323 -1.486 . . . . 0.0 113.683 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.58 -42.21 95.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.994 -1.066 . . . . 0.0 112.883 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 p -94.64 9.11 40.03 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.926 -1.734 . . . . 0.0 111.925 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 tptm 58.32 60.48 2.61 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -24.84 15.28 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.088 -1.632 . . . . 0.0 108.554 159.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--N 1.348 0.534 0 O-C-N 120.191 -1.568 . . . . 0.0 111.057 -179.435 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 CA--C 1.518 -0.301 0 CA-C-O 119.295 -0.377 . . . . 0.0 112.764 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.2 pt -66.14 -39.57 84.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 CA-C-N 118.99 0.814 . . . . 0.0 112.299 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.59 -44.53 96.07 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.109 -0.994 . . . . 0.0 112.268 174.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.32 96.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.995 -1.066 . . . . 0.0 112.988 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.63 -47.92 81.62 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.25 -0.906 . . . . 0.0 113.291 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.254 3.0 pp -66.06 -39.68 90.28 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.672 -1.893 . . . . 0.0 113.297 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.54 93.61 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.347 1.459 . . . . 0.0 113.927 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.39 98.57 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 119.938 -1.727 . . . . 0.0 112.378 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -36.37 83.71 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.75 11.65 0.43 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.3 48.26 0.79 Allowed Glycine 0 C--N 1.344 1.023 0 O-C-N 119.509 -1.994 . . . . 0.0 115.34 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.97 -17.5 19.57 Favored 'Trans proline' 0 N--CA 1.46 -0.471 1 CA-C-N 124.467 4.134 . . . . 0.0 111.203 -170.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -63.62 -42.8 98.16 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -68.78 -40.57 79.62 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.233 -1.542 . . . . 0.0 112.22 171.546 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -61.9 -44.25 97.19 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.516 -1.365 . . . . 0.0 112.903 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -65.94 -36.63 83.87 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.12 -43.3 71.29 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 119.981 -1.7 . . . . 0.0 113.237 173.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.39 -41.17 90.71 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.653 1.181 . . . . 0.0 112.678 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.8 p -91.23 10.45 27.11 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.946 -1.721 . . . . 0.0 111.631 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.273 26.0 tptp 42.95 57.55 3.6 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 128.753 2.821 . . . . 0.0 114.747 -177.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -13.91 15.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.354 -1.466 . . . . 0.0 109.418 173.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 C--O 1.241 0.645 0 O-C-N 120.604 -1.31 . . . . 0.0 111.293 170.45 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 112.426 0.125 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -61.48 -38.29 79.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 124.863 1.265 . . . . 0.0 112.924 172.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.15 -43.59 86.57 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.998 -1.064 . . . . 0.0 111.639 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.55 98.61 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.921 -1.112 . . . . 0.0 112.915 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.33 -47.63 83.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.55 -37.17 84.4 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 119.831 -1.793 . . . . 0.0 113.065 176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.72 93.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.76 -1.212 . . . . 0.0 113.16 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.07 98.74 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 121.131 -0.981 . . . . 0.0 113.569 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -163.2 12.78 0.06 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -175.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.99 40.62 1.71 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-O 116.786 -2.119 . . . . 0.0 116.723 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.62 -22.16 8.08 Favored 'Trans proline' 0 CA--C 1.513 -0.574 1 CA-C-N 125.956 4.878 . . . . 0.0 111.021 -165.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -44.09 95.5 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.07 -41.92 85.6 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.809 -1.182 . . . . 0.0 112.456 172.592 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -61.04 -41.59 96.87 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.743 1.217 . . . . 0.0 112.444 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 m -58.73 -39.93 82.31 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.464 1.506 . . . . 0.0 114.291 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.06 -47.44 65.33 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.206 -0.934 . . . . 0.0 112.859 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.95 1.3 . . . . 0.0 112.607 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -93.51 6.81 46.97 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.258 -1.526 . . . . 0.0 111.592 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 51.0 59.38 4.66 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 127.492 2.317 . . . . 0.0 114.024 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -36.14 3.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 120.406 -1.434 . . . . 0.0 112.736 -175.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 CA--C 1.512 -0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.262 -175.15 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 119.457 -0.31 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.2 pt -64.36 -41.49 92.49 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.779 0.832 . . . . 0.0 112.348 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.17 -43.34 99.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.696 1.199 . . . . 0.0 112.055 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.3 99.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.737 -1.227 . . . . 0.0 113.252 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.3 t -62.3 -48.95 77.62 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.11 -34.59 77.94 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.892 -1.755 . . . . 0.0 113.279 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.41 95.91 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.613 -1.305 . . . . 0.0 113.552 172.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.57 81.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.974 -1.079 . . . . 0.0 113.559 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -39.75 94.23 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.28 2.93 0.06 Allowed 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.03 23.16 37.05 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-O 115.348 -2.918 . . . . 0.0 119.015 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -75.77 -19.4 16.31 Favored 'Trans proline' 0 N--CA 1.459 -0.541 1 CA-C-N 128.578 6.189 . . . . 0.0 112.224 -160.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -64.79 -46.82 80.44 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.684 1.129 . . . . 0.0 113.421 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.08 -40.7 78.29 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.109 -0.994 . . . . 0.0 112.038 173.583 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.21 -34.91 75.85 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.106 -1.621 . . . . 0.0 113.068 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -61.99 -49.56 75.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.41 -1.431 . . . . 0.0 113.86 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.88 -43.12 65.94 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.484 -1.385 . . . . 0.0 114.35 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.08 -41.15 85.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 124.524 1.13 . . . . 0.0 113.852 -173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 p -96.14 14.79 22.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.82 -1.8 . . . . 0.0 112.19 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.274 30.1 tptt 54.86 45.98 25.43 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 124.669 2.176 . . . . 0.0 112.765 -174.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -102.25 -0.01 33.66 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 119.707 -1.871 . . . . 0.0 109.97 -174.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.441 -1.412 . . . . 0.0 109.878 167.493 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.517 -0.361 0 CA-C-O 119.637 -0.235 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 pt -66.41 -35.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.346 0.447 0 CA-C-N 118.831 0.742 . . . . 0.0 112.553 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.05 -43.28 96.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.969 -1.082 . . . . 0.0 111.974 173.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.04 99.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.85 -1.156 . . . . 0.0 112.923 173.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 t -62.26 -47.88 82.38 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.92 -34.85 78.68 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.81 -1.806 . . . . 0.0 113.137 176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.525 -1.359 . . . . 0.0 112.98 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.515 -1.366 . . . . 0.0 113.622 170.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.51 -39.95 94.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.65 -0.56 0.04 OUTLIER 'General case' 0 C--N 1.35 0.601 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 175.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.64 44.62 1.47 Allowed Glycine 0 C--N 1.35 1.343 0 CA-C-O 116.16 -2.467 . . . . 0.0 117.175 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -82.21 -28.17 2.05 Favored 'Trans proline' 0 CA--C 1.508 -0.786 1 CA-C-N 127.043 5.422 . . . . 0.0 111.765 -158.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -63.8 -41.12 97.98 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.467 1.031 . . . . 0.0 113.488 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.88 -43.76 95.07 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.908 -1.12 . . . . 0.0 113.101 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.71 -41.62 98.07 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.135 -1.603 . . . . 0.0 112.018 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.45 -42.31 99.37 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.561 1.545 . . . . 0.0 114.304 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -71.85 -43.4 65.58 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.268 -1.52 . . . . 0.0 114.261 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.61 -42.03 94.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 O-C-N 121.067 -1.021 . . . . 0.0 111.644 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -89.47 34.03 0.82 Allowed 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.064 -1.648 . . . . 0.0 112.616 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 tptt 69.55 -22.29 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 129.208 3.003 . . . . 0.0 117.75 168.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -61.94 -43.26 99.21 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.241 0.653 0 O-C-N 120.578 -1.327 . . . . 0.0 111.382 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 C--O 1.231 0.163 0 N-CA-C 113.154 0.406 . . . . 0.0 113.154 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.8 pt -64.49 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 124.193 0.997 . . . . 0.0 112.534 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.69 -44.19 94.41 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.259 1.424 . . . . 0.0 111.987 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.36 99.01 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.675 -1.265 . . . . 0.0 112.999 173.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.36 -47.94 81.98 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.34 -37.13 84.63 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.772 -1.83 . . . . 0.0 113.165 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.87 96.99 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.95 -1.094 . . . . 0.0 113.367 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.77 84.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -63.24 -45.12 93.07 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.71 3.22 0.03 OUTLIER 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -174.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.19 23.85 33.07 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 115.293 -2.948 . . . . 0.0 118.253 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.25 -21.63 15.2 Favored 'Trans proline' 0 N--CA 1.46 -0.476 1 CA-C-N 128.512 6.156 . . . . 0.0 112.191 -160.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.04 -44.64 88.44 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.44 1.018 . . . . 0.0 113.232 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.73 -39.8 84.24 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.974 -1.079 . . . . 0.0 112.611 173.32 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -59.5 -40.44 87.05 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.612 -1.305 . . . . 0.0 112.372 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 t -59.9 -50.67 72.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.277 2.6 pt? -73.65 -42.33 61.53 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.31 -1.494 . . . . 0.0 113.779 178.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.93 -37.92 78.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 124.645 1.178 . . . . 0.0 112.727 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -95.29 9.35 40.15 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.349 -1.47 . . . . 0.0 112.98 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.28 27.0 tptt 53.82 44.31 29.72 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 124.666 2.174 . . . . 0.0 112.995 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -98.47 -4.96 33.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 119.676 -1.89 . . . . 0.0 109.73 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.241 0.639 0 O-C-N 120.464 -1.397 . . . . 0.0 110.417 172.005 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.521 -0.128 0 N-CA-C 112.58 0.185 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.18 -39.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 124.293 1.037 . . . . 0.0 112.489 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.92 -44.44 92.89 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.145 1.378 . . . . 0.0 112.151 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.26 99.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.732 -1.23 . . . . 0.0 112.936 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 t -62.23 -48.38 80.23 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.47 -35.6 80.67 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.906 -1.747 . . . . 0.0 113.176 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.77 95.28 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.749 -1.22 . . . . 0.0 113.094 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.84 87.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.855 -1.153 . . . . 0.0 113.665 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -38.94 92.36 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.97 -0.6 0.03 OUTLIER 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 174.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.06 34.9 5.44 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 115.609 -2.773 . . . . 0.0 118.502 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -79.61 -21.02 8.94 Favored 'Trans proline' 0 CA--C 1.511 -0.661 1 CA-C-N 128.013 5.907 . . . . 0.0 111.237 -162.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.91 -43.27 96.48 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.52 -41.71 83.94 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.975 -1.078 . . . . 0.0 112.596 172.42 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -61.53 -41.77 97.82 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.368 -1.458 . . . . 0.0 112.32 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.12 -43.72 95.42 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.259 3.5 pp -72.26 -43.22 64.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.208 -1.558 . . . . 0.0 113.687 174.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.38 -41.78 93.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.581 1.152 . . . . 0.0 112.832 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -92.11 11.83 24.13 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.022 -1.673 . . . . 0.0 111.573 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 19.5 tptm 45.4 60.44 3.05 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.126 2.57 . . . . 0.0 114.369 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -12.18 15.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.163 -1.586 . . . . 0.0 109.674 173.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.348 0.501 0 O-C-N 121.0 -1.063 . . . . 0.0 110.057 174.863 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo . . . . . 0 CA--C 1.518 -0.291 0 N-CA-C 113.386 0.495 . . . . 0.0 113.386 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -65.1 -41.51 92.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-N 119.138 0.881 . . . . 0.0 112.026 173.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.83 -44.62 95.67 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 125.261 1.424 . . . . 0.0 111.922 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.16 98.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 120.55 -1.344 . . . . 0.0 113.239 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.25 -49.87 73.99 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.66 -37.42 84.76 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.064 -1.647 . . . . 0.0 113.14 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.454 -1.404 . . . . 0.0 113.612 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.41 83.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 120.416 -1.427 . . . . 0.0 113.611 167.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.7 7.71 0.36 Allowed 'General case' 0 C--N 1.348 0.501 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.45 26.35 18.63 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-O 115.449 -2.862 . . . . 0.0 118.389 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.91 -32.58 54.65 Favored 'Trans proline' 0 N--CA 1.462 -0.371 1 CA-C-N 127.466 5.633 . . . . 0.0 114.727 -160.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.93 -45.87 80.3 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 119.879 1.218 . . . . 0.0 113.532 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -68.29 -36.91 80.07 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.732 -1.23 . . . . 0.0 112.321 173.683 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.74 -44.68 90.58 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.891 -1.131 . . . . 0.0 111.758 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.97 -49.7 75.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.91 -40.24 91.3 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.52 -51.24 65.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.361 -1.462 . . . . 0.0 111.895 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 p -67.07 -37.79 84.61 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 91.01 17.92 0.03 OUTLIER 'General case' 0 C--N 1.352 0.683 0 C-N-CA 128.301 2.64 . . . . 0.0 112.281 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.73 -36.53 84.17 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.554 -1.341 . . . . 0.0 114.387 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.511 -0.553 0 O-C-N 120.879 -1.138 . . . . 0.0 108.888 178.168 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 CA--C 1.518 -0.297 0 N-CA-C 112.555 0.175 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -62.73 -38.93 82.96 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.454 1.102 . . . . 0.0 112.898 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.7 -43.17 85.11 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.929 -1.107 . . . . 0.0 111.188 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.62 98.5 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 173.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -62.45 -48.0 81.57 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.34 -37.18 84.74 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 119.673 -1.892 . . . . 0.0 113.162 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.37 97.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 120.68 -1.263 . . . . 0.0 113.136 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.79 94.05 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.007 -1.058 . . . . 0.0 113.799 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -62.35 -44.91 95.38 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.4 1.57 0.03 OUTLIER 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.11 19.96 39.25 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-O 114.888 -3.173 . . . . 0.0 118.282 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.55 -24.57 55.96 Favored 'Trans proline' 0 CA--C 1.514 -0.482 1 CA-C-N 127.978 5.889 . . . . 0.0 114.762 -151.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -60.86 -37.58 82.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -42.32 94.94 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.695 1.588 . . . . 0.0 112.809 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.09 97.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.492 -1.38 . . . . 0.0 111.384 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 m -60.65 -42.68 97.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.83 -44.56 55.34 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.989 1.268 . . . . 0.0 113.366 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.77 -40.27 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 121.062 -1.024 . . . . 0.0 112.244 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.6 p -96.81 20.69 10.6 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.534 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 tptt 68.3 -19.66 0.15 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -56.39 -42.15 77.46 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 116.812 2.152 . . . . 0.0 116.812 -169.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.241 0.657 0 O-C-N 120.36 -1.463 . . . . 0.0 111.783 -177.05 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 119.799 -0.167 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -63.67 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 124.055 0.942 . . . . 0.0 112.344 171.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.98 -44.41 92.77 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.361 1.464 . . . . 0.0 111.867 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.26 99.23 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 120.801 -1.187 . . . . 0.0 113.09 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 t -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.61 -36.62 83.06 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 119.749 -1.844 . . . . 0.0 113.204 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.57 96.58 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.787 -1.196 . . . . 0.0 113.375 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.36 88.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 172.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -62.65 -44.86 95.2 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.86 1.88 0.03 OUTLIER 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.6 16.53 58.7 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-O 114.925 -3.153 . . . . 0.0 118.981 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.95 -22.73 12.93 Favored 'Trans proline' 0 CA--C 1.512 -0.592 1 CA-C-N 128.563 6.182 . . . . 0.0 112.28 -155.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -65.19 -42.63 93.4 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 118.978 0.808 . . . . 0.0 112.711 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.39 86.37 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 121.151 -0.968 . . . . 0.0 110.94 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -61.94 -42.16 98.79 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 113.635 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.363 -1.461 . . . . 0.0 114.131 174.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.49 -51.53 59.36 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.664 -1.273 . . . . 0.0 113.174 171.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.39 -42.99 96.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.169 0.988 . . . . 0.0 112.854 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 p -98.83 15.97 23.78 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.025 -1.672 . . . . 0.0 112.081 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tptm 55.96 57.51 5.08 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -111.07 -1.81 16.12 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.105 -1.622 . . . . 0.0 109.813 160.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--N 1.347 0.498 0 O-C-N 120.096 -1.628 . . . . 0.0 109.21 168.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 CA--C 1.518 -0.324 0 CA-C-O 119.722 -0.199 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -39.48 85.62 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 124.374 1.069 . . . . 0.0 112.05 172.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 125.215 1.406 . . . . 0.0 112.169 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.93 99.8 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.533 -1.355 . . . . 0.0 113.198 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.1 t -62.27 -48.64 79.04 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.75 -35.29 79.76 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.895 -1.753 . . . . 0.0 113.064 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.08 97.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.655 -1.278 . . . . 0.0 113.337 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.48 83.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.764 -1.21 . . . . 0.0 113.623 169.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -39.72 94.2 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.82 2.81 0.07 Allowed 'General case' 0 C--N 1.347 0.49 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.58 21.09 45.5 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 115.301 -2.944 . . . . 0.0 118.955 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.14 -26.09 13.09 Favored 'Trans proline' 0 CA--C 1.513 -0.562 1 CA-C-N 128.381 6.09 . . . . 0.0 112.529 -158.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -65.49 -44.9 85.61 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.68 1.127 . . . . 0.0 113.294 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -67.46 -40.68 85.37 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.479 -1.388 . . . . 0.0 112.468 172.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -59.52 -42.31 91.96 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.81 -1.181 . . . . 0.0 112.46 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 t -59.32 -43.85 92.65 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 126.143 1.777 . . . . 0.0 113.359 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.66 -50.92 39.48 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.91 -40.9 90.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 112.913 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.9 p -104.29 20.56 18.18 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 120.522 -1.361 . . . . 0.0 111.605 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.27 39.6 tptt 54.68 53.52 10.49 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 168.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -101.38 -6.73 23.68 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 119.657 -1.902 . . . . 0.0 110.283 166.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.24 0.596 0 O-C-N 119.961 -1.712 . . . . 0.0 111.336 178.455 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 122.733 1.254 . . . . 0.0 108.626 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.274 2.7 pt? -60.71 -39.24 64.56 Favored Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.28 -39.1 5.85 Favored 'Trans proline' 0 C--N 1.347 0.496 1 CA-C-N 128.343 4.015 . . . . 0.0 112.454 -176.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -66.42 -39.94 85.33 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 119.207 0.912 . . . . 0.0 111.975 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.377 1.071 . . . . 0.0 112.413 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.86 99.74 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.438 -1.414 . . . . 0.0 113.274 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.9 t -62.96 -44.97 94.59 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.88 -1.138 . . . . 0.0 113.794 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.31 -34.93 75.42 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.911 -1.743 . . . . 0.0 112.877 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.08 97.9 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.684 -1.26 . . . . 0.0 113.389 172.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.9 97.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.28 3.5 0.08 Allowed 'General case' 0 C--N 1.349 0.545 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.0 18.61 45.84 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-O 115.031 -3.094 . . . . 0.0 119.04 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.19 -22.32 19.25 Favored 'Trans proline' 0 CA--C 1.514 -0.478 1 CA-C-N 128.567 6.184 . . . . 0.0 112.051 -161.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.68 -45.1 88.1 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 123.805 0.842 . . . . 0.0 113.12 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -72.28 -39.8 68.08 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.986 171.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -61.08 -42.26 98.16 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.354 -1.466 . . . . 0.0 113.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.419 -1.426 . . . . 0.0 114.619 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.263 3.5 pp -71.69 -44.15 64.71 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.986 -1.696 . . . . 0.0 113.072 175.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.22 -42.75 97.6 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 C-N-CA 124.24 1.016 . . . . 0.0 112.768 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 p -95.84 17.38 15.3 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.943 -1.723 . . . . 0.0 112.137 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.312 38.9 tptt 48.73 58.33 5.4 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 128.427 2.691 . . . . 0.0 115.699 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -119.86 -0.95 10.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.318 -1.489 . . . . 0.0 110.676 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.457 -1.402 . . . . 0.0 110.064 166.859 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.973 0.892 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -154.83 12.22 0.0 OUTLIER Pre-proline 0 N--CA 1.447 -0.581 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 -175.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.96 -41.23 10.39 Favored 'Trans proline' 0 C--N 1.348 0.545 1 CA-C-N 129.369 4.382 . . . . 0.0 113.11 -173.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -64.66 -38.67 83.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 124.122 0.969 . . . . 0.0 112.419 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.57 -44.54 93.8 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.307 1.443 . . . . 0.0 112.004 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.13 99.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.744 -1.223 . . . . 0.0 113.046 173.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.3 -48.31 80.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.87 -35.66 80.53 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 119.833 -1.792 . . . . 0.0 113.033 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.26 97.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.774 -1.203 . . . . 0.0 113.442 173.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.97 88.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.904 -1.122 . . . . 0.0 113.449 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.28 -41.05 97.08 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 7.18 0.13 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.32 20.27 35.46 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 115.215 -2.992 . . . . 0.0 118.211 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.99 -29.69 14.67 Favored 'Trans proline' 0 CA--C 1.513 -0.528 1 CA-C-N 128.308 6.054 . . . . 0.0 112.786 -157.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.51 -43.03 91.34 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.37 -40.08 81.57 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.662 -1.274 . . . . 0.0 112.267 173.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -61.8 -39.2 90.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.611 -1.306 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.94 -43.76 94.77 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.84 1.656 . . . . 0.0 113.158 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.94 -52.25 38.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.993 -1.067 . . . . 0.0 113.311 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.24 -41.91 94.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 C-N-CA 125.23 1.412 . . . . 0.0 112.796 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -93.46 8.79 39.2 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.958 -1.714 . . . . 0.0 111.894 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.265 0.6 OUTLIER 78.28 23.44 0.7 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.948 1.699 . . . . 0.0 114.419 164.649 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -44.07 70.68 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.047 -2.283 . . . . 0.0 111.548 170.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.238 0.485 0 O-C-N 120.564 -1.335 . . . . 0.0 113.525 -172.723 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 122.601 1.191 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.277 2.7 pt? -60.45 -39.69 69.71 Favored Pre-proline 0 N--CA 1.446 -0.634 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.47 -38.02 6.76 Favored 'Trans proline' 0 C--N 1.346 0.441 0 CA-C-N 128.266 3.988 . . . . 0.0 112.441 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.6 pt -67.21 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 111.949 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.07 -44.64 96.24 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 112.461 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.17 98.97 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.574 -1.328 . . . . 0.0 113.334 173.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -61.75 -48.06 82.39 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.147 -0.971 . . . . 0.0 113.454 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.61 -36.31 80.59 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.998 -1.689 . . . . 0.0 113.28 174.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.89 97.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 120.71 -1.244 . . . . 0.0 113.615 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.35 84.23 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 121.006 -1.059 . . . . 0.0 113.66 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -65.74 -40.91 92.61 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -156.79 -5.24 0.1 Allowed 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.087 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.09 17.37 58.17 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 114.942 -3.143 . . . . 0.0 119.765 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.74 -27.03 12.98 Favored 'Trans proline' 0 CA--C 1.514 -0.518 1 CA-C-N 128.794 6.297 . . . . 0.0 112.652 -157.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.55 -45.85 81.8 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.453 1.024 . . . . 0.0 113.382 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.29 -38.74 81.95 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.815 -1.178 . . . . 0.0 112.332 173.404 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.23 -40.61 90.81 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.556 -1.34 . . . . 0.0 112.941 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.34 -41.32 93.35 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.508 -1.37 . . . . 0.0 113.254 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.63 -43.9 83.47 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.672 -1.267 . . . . 0.0 114.081 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.86 -48.04 89.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.158 -1.589 . . . . 0.0 112.413 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 p -63.28 -36.76 84.75 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 113.28 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 90.87 22.22 0.03 OUTLIER 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.786 2.434 . . . . 0.0 112.28 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -18.46 57.85 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.29 -1.506 . . . . 0.0 110.678 169.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.446 -0.656 0 C-N-CA 125.309 1.444 . . . . 0.0 107.658 169.029 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 123.013 1.387 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 2' ' ' LEU . 5.6 mp -60.15 -43.0 92.75 Favored Pre-proline 0 N--CA 1.445 -0.681 0 CA-C-O 115.656 -2.116 . . . . 0.0 116.412 -178.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -70.95 -38.39 5.25 Favored 'Trans proline' 0 CA--C 1.516 -0.41 0 CA-C-N 126.815 3.47 . . . . 0.0 112.517 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 pt -65.94 -40.83 88.52 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 CA-C-N 119.131 0.878 . . . . 0.0 112.012 174.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.97 -44.7 96.2 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.438 1.095 . . . . 0.0 112.512 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.96 99.82 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.502 -1.373 . . . . 0.0 113.464 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.25 -48.59 79.29 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 123.861 0.865 . . . . 0.0 113.24 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.6 -36.73 83.33 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.062 -1.649 . . . . 0.0 113.031 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.18 97.52 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 120.806 -1.184 . . . . 0.0 113.799 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.38 93.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.712 -1.242 . . . . 0.0 113.152 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.2 -41.72 96.95 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.29 14.25 0.25 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.27 39.43 2.01 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 116.768 -2.129 . . . . 0.0 116.662 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -75.18 -28.98 8.41 Favored 'Trans proline' 0 N--CA 1.459 -0.508 1 CA-C-N 125.824 4.812 . . . . 0.0 111.764 -166.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -67.0 -44.13 81.15 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 119.21 0.914 . . . . 0.0 113.434 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.04 -41.26 91.11 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.949 -1.719 . . . . 0.0 111.948 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -62.36 -38.78 90.88 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.561 -1.337 . . . . 0.0 113.617 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -65.12 -41.57 94.76 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.931 -1.731 . . . . 0.0 113.727 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.87 -47.51 77.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.832 -1.167 . . . . 0.0 113.912 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.91 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 22.19 16.29 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.121 -1.612 . . . . 0.0 111.928 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 tptm 57.06 49.26 14.06 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 123.556 1.646 . . . . 0.0 114.895 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -103.52 -0.27 30.04 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.65 -1.906 . . . . 0.0 110.546 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m . . . . . 0 C--N 1.348 0.512 0 O-C-N 120.551 -1.343 . . . . 0.0 109.131 168.761 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 122.691 1.234 . . . . 0.0 108.64 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.274 2.7 pt? -60.73 -39.53 66.98 Favored Pre-proline 0 N--CA 1.447 -0.605 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.6 -38.84 5.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 CA-C-N 128.282 3.994 . . . . 0.0 112.424 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.4 pt -66.51 -40.08 85.54 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 118.985 0.811 . . . . 0.0 111.849 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.0 -44.84 95.88 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.383 1.073 . . . . 0.0 112.478 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.6 -1.312 . . . . 0.0 113.369 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.12 -48.29 80.79 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.326 -0.859 . . . . 0.0 113.243 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.83 -35.95 81.24 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.95 -1.719 . . . . 0.0 113.077 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.44 97.27 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.861 -1.149 . . . . 0.0 113.526 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.22 84.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.046 -1.034 . . . . 0.0 113.585 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.45 -41.12 96.73 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.02 5.9 0.1 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.26 17.59 53.46 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 115.128 -3.04 . . . . 0.0 118.926 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.64 -21.49 16.67 Favored 'Trans proline' 0 CA--C 1.514 -0.523 1 CA-C-N 128.686 6.243 . . . . 0.0 111.402 -160.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -43.93 97.35 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 123.981 0.912 . . . . 0.0 112.939 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.489 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -74.66 -41.03 61.04 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.923 0.889 . . . . 0.0 112.366 171.094 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -59.35 -38.71 81.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.134 -1.604 . . . . 0.0 112.744 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 t -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.212 1.805 . . . . 0.0 114.557 173.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.25 3.0 pp -77.35 -42.99 34.45 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.06 -1.65 . . . . 0.0 112.493 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.65 -41.49 90.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 125.03 1.332 . . . . 0.0 112.805 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p -92.66 9.66 33.89 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.06 -1.65 . . . . 0.0 112.035 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.279 48.3 tptt 50.4 61.54 3.15 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 126.271 1.828 . . . . 0.0 114.137 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -112.66 -9.31 13.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 120.17 -1.581 . . . . 0.0 110.269 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.241 0.61 0 O-C-N 120.267 -1.521 . . . . 0.0 110.929 172.673 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.9 t80 . . . . . 0 N--CA 1.436 -1.155 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' H ' ' CD ' ' A' ' 3' ' ' PRO . 2.4 pt? -159.85 -1.83 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.549 0 N-CA-C 119.265 3.061 . . . . 0.0 119.265 -171.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' CD ' ' H ' ' A' ' 2' ' ' LEU . 53.3 Cg_endo -69.6 -36.14 11.79 Favored 'Trans proline' 0 C--N 1.347 0.495 1 CA-C-N 130.31 4.718 . . . . 0.0 112.09 -176.307 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 pt -63.83 -39.71 86.41 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 124.036 0.934 . . . . 0.0 112.341 171.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.94 -44.58 92.43 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.437 1.495 . . . . 0.0 111.847 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.94 99.67 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.733 -1.229 . . . . 0.0 113.102 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -62.08 -48.34 80.64 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.31 -36.38 81.35 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.944 -1.723 . . . . 0.0 113.41 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.18 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.703 -1.248 . . . . 0.0 113.636 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.12 77.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.33 -41.23 89.94 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.49 -2.44 0.12 Allowed 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.801 -1.187 . . . . 0.0 113.763 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.27 18.52 56.39 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-O 114.971 -3.127 . . . . 0.0 119.26 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.45 -26.69 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.523 1 CA-C-N 128.553 6.177 . . . . 0.0 112.667 -160.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -65.02 -45.05 87.08 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.562 1.074 . . . . 0.0 113.276 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -69.49 -40.44 77.03 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.648 -1.282 . . . . 0.0 112.32 171.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.84 -36.31 78.79 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.043 -1.66 . . . . 0.0 113.017 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 120.561 -1.337 . . . . 0.0 113.785 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -71.63 -42.18 67.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.881 -1.137 . . . . 0.0 114.057 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.78 -41.79 86.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -103.32 20.58 17.49 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.093 -1.63 . . . . 0.0 111.761 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.271 35.2 tptt 56.44 49.92 14.03 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 123.69 1.709 . . . . 0.0 114.755 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -98.56 -3.45 36.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 119.221 -2.174 . . . . 0.0 110.762 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.24 0.602 0 O-C-N 120.507 -1.371 . . . . 0.0 110.557 176.314 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.439 -0.994 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp 49.33 58.19 17.86 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.02 -32.25 44.64 Favored 'Trans proline' 0 CA--C 1.517 -0.341 0 C-N-CA 123.242 2.628 . . . . 0.0 112.988 -167.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -63.04 -39.84 86.73 Favored 'Isoleucine or valine' 0 C--N 1.345 0.403 0 C-N-CA 124.144 0.978 . . . . 0.0 112.7 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.29 -43.64 85.79 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 121.047 -1.033 . . . . 0.0 111.445 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.98 98.65 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.9 -1.125 . . . . 0.0 113.255 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.45 -48.93 77.46 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.66 -36.74 83.25 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 119.841 -1.787 . . . . 0.0 113.059 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.75 98.42 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.604 1.162 . . . . 0.0 113.482 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.85 84.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.412 -1.43 . . . . 0.0 113.623 169.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.32 -41.13 96.96 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -154.63 12.05 0.39 Allowed 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.034 -1.666 . . . . 0.0 115.115 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 20.11 34.66 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-O 115.483 -2.843 . . . . 0.0 117.479 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.03 -27.87 29.43 Favored 'Trans proline' 0 C--N 1.348 0.508 1 CA-C-N 127.505 5.653 . . . . 0.0 113.303 -157.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -63.38 -44.92 93.35 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.504 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -72.88 -39.85 66.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.223 -0.923 . . . . 0.0 112.288 171.454 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -60.19 -40.81 91.33 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.275 -1.516 . . . . 0.0 112.65 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 t -59.76 -45.28 92.72 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.087 1.755 . . . . 0.0 114.239 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.38 -43.53 60.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.707 -1.246 . . . . 0.0 113.336 177.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.4 -42.34 95.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 124.496 1.118 . . . . 0.0 112.385 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -96.13 17.52 15.46 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.281 -1.512 . . . . 0.0 111.755 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.73 17.89 4.33 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 157.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -81.14 -21.05 40.08 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 118.974 -2.329 . . . . 0.0 112.477 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.24 0.562 0 O-C-N 120.092 -1.63 . . . . 0.0 111.784 175.889 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 122.55 1.167 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.29 -43.39 96.56 Favored Pre-proline 0 N--CA 1.448 -0.56 0 CA-C-O 115.778 -2.058 . . . . 0.0 116.055 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -71.03 -38.23 5.29 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 CA-C-N 126.562 3.379 . . . . 0.0 112.482 -176.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 pt -66.69 -40.28 85.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 119.241 0.928 . . . . 0.0 112.055 174.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.96 -44.86 95.86 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.481 1.112 . . . . 0.0 112.466 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.04 99.77 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.656 -1.277 . . . . 0.0 113.363 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 t -62.3 -48.22 80.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.324 -0.86 . . . . 0.0 113.272 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.51 -37.1 84.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.037 -1.664 . . . . 0.0 113.032 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.74 96.49 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 120.791 -1.193 . . . . 0.0 113.497 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.16 95.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.694 -1.254 . . . . 0.0 113.255 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -63.94 -41.56 97.58 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.35 13.43 0.24 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 37.46 2.31 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 116.449 -2.306 . . . . 0.0 117.121 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.17 -23.19 10.59 Favored 'Trans proline' 0 CA--C 1.515 -0.468 1 CA-C-N 126.453 5.126 . . . . 0.0 110.824 -167.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.7 -44.09 87.2 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.909 0.883 . . . . 0.0 113.216 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.49 -40.38 77.06 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.517 -1.364 . . . . 0.0 111.914 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -61.19 -42.67 99.0 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.866 -1.146 . . . . 0.0 113.344 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -65.04 -32.69 74.53 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.278 -1.514 . . . . 0.0 114.056 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.7 mt -68.72 -49.73 56.5 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.478 -1.388 . . . . 0.0 112.645 171.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.47 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 125.205 1.402 . . . . 0.0 112.84 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -91.75 7.33 42.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.078 -1.639 . . . . 0.0 112.091 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.294 47.2 tptt 48.76 60.62 3.57 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.764 2.026 . . . . 0.0 114.35 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -115.76 -8.62 12.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.517 -1.364 . . . . 0.0 110.337 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--O 1.242 0.674 0 O-C-N 120.093 -1.629 . . . . 0.0 110.837 167.887 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 N--CA 1.438 -1.074 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp -152.42 10.03 0.01 OUTLIER Pre-proline 0 C--N 1.348 0.542 0 N-CA-C 118.602 2.815 . . . . 0.0 118.602 -173.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.16 -46.03 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.48 1 CA-C-N 129.331 4.368 . . . . 0.0 113.364 -167.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.6 pt -65.84 -38.68 82.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 CA-C-N 118.895 0.77 . . . . 0.0 112.455 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.98 -44.04 97.14 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.517 1.127 . . . . 0.0 112.442 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.766 -1.209 . . . . 0.0 112.919 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.25 -48.01 81.82 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 119.569 -1.957 . . . . 0.0 113.385 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.22 98.88 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.692 1.197 . . . . 0.0 113.911 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.1 97.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.151 -1.593 . . . . 0.0 112.917 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.29 94.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.9 16.36 0.67 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -128.65 41.05 1.62 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-O 117.168 -1.907 . . . . 0.0 115.127 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -67.89 -29.6 34.47 Favored 'Trans proline' 0 N--CA 1.461 -0.436 1 CA-C-N 124.845 4.322 . . . . 0.0 112.732 -169.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -66.68 -44.26 82.27 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 119.258 0.935 . . . . 0.0 113.386 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.44 -39.97 85.44 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.418 -1.426 . . . . 0.0 111.947 172.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -61.95 -39.68 92.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.224 -1.548 . . . . 0.0 113.221 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 p -66.31 -43.62 85.72 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.138 -1.601 . . . . 0.0 114.536 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 3.2 pp -68.79 -43.07 76.44 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.506 -1.371 . . . . 0.0 114.422 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.97 -42.11 88.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -104.24 21.9 15.73 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.001 -1.687 . . . . 0.0 111.235 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.262 0.3 OUTLIER 52.14 49.12 21.3 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.528 1.931 . . . . 0.0 115.957 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -94.99 -7.85 38.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 119.872 -1.767 . . . . 0.0 109.885 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.24 0.591 0 O-C-N 120.626 -1.296 . . . . 0.0 110.59 167.038 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.444 -0.733 0 CA-C-O 121.656 0.741 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 mp 56.07 46.78 2.57 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -73.03 -39.19 2.36 Favored 'Trans proline' 0 C--N 1.344 0.296 0 CA-C-N 123.805 2.395 . . . . 0.0 112.239 -168.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -64.66 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 124.067 0.947 . . . . 0.0 112.448 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.52 -43.45 97.13 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.784 1.234 . . . . 0.0 111.994 173.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.41 98.91 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.809 -1.182 . . . . 0.0 113.246 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.28 -48.28 80.6 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.25 3.4 pp -66.99 -35.51 80.12 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 119.734 -1.854 . . . . 0.0 113.15 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.13 99.37 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.761 -1.212 . . . . 0.0 113.344 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.38 88.36 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.515 -1.365 . . . . 0.0 113.506 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -63.81 -40.78 97.45 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -155.53 9.29 0.28 Allowed 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.963 -1.711 . . . . 0.0 115.43 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.2 19.18 35.12 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-O 115.182 -3.01 . . . . 0.0 117.836 172.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.15 -20.15 16.85 Favored 'Trans proline' 0 CA--C 1.511 -0.629 1 CA-C-N 128.06 5.93 . . . . 0.0 112.718 -151.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 119.496 1.044 . . . . 0.0 112.644 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.83 -45.35 86.55 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 124.0 0.92 . . . . 0.0 111.402 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.12 -40.69 94.72 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.544 -1.348 . . . . 0.0 112.486 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.57 -45.63 93.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.769 1.628 . . . . 0.0 114.025 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.69 -45.63 43.09 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.323 -1.486 . . . . 0.0 113.683 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.58 -42.21 95.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.994 -1.066 . . . . 0.0 112.883 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 p -94.64 9.11 40.03 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.926 -1.734 . . . . 0.0 111.925 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 tptm 58.32 60.48 2.61 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -24.84 15.28 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.088 -1.632 . . . . 0.0 108.554 159.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--N 1.348 0.534 0 O-C-N 120.191 -1.568 . . . . 0.0 111.057 -179.435 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 122.365 1.078 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -94.73 -0.44 0.08 OUTLIER Pre-proline 0 N--CA 1.446 -0.651 0 CA-C-O 114.067 -2.873 . . . . 0.0 118.473 -170.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.19 -39.35 4.02 Favored 'Trans proline' 0 C--N 1.349 0.595 1 CA-C-N 130.244 4.694 . . . . 0.0 112.764 -167.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.2 pt -66.14 -39.57 84.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 CA-C-N 118.99 0.814 . . . . 0.0 112.299 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.59 -44.53 96.07 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.109 -0.994 . . . . 0.0 112.268 174.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.32 96.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.995 -1.066 . . . . 0.0 112.988 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.63 -47.92 81.62 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.25 -0.906 . . . . 0.0 113.291 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.254 3.0 pp -66.06 -39.68 90.28 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.672 -1.893 . . . . 0.0 113.297 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.54 93.61 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.347 1.459 . . . . 0.0 113.927 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.39 98.57 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 119.938 -1.727 . . . . 0.0 112.378 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -36.37 83.71 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.75 11.65 0.43 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.3 48.26 0.79 Allowed Glycine 0 C--N 1.344 1.023 0 O-C-N 119.509 -1.994 . . . . 0.0 115.34 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.97 -17.5 19.57 Favored 'Trans proline' 0 N--CA 1.46 -0.471 1 CA-C-N 124.467 4.134 . . . . 0.0 111.203 -170.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -63.62 -42.8 98.16 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -68.78 -40.57 79.62 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.233 -1.542 . . . . 0.0 112.22 171.546 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -61.9 -44.25 97.19 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.516 -1.365 . . . . 0.0 112.903 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -65.94 -36.63 83.87 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.12 -43.3 71.29 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 119.981 -1.7 . . . . 0.0 113.237 173.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.39 -41.17 90.71 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.653 1.181 . . . . 0.0 112.678 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.8 p -91.23 10.45 27.11 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.946 -1.721 . . . . 0.0 111.631 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.273 26.0 tptp 42.95 57.55 3.6 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 128.753 2.821 . . . . 0.0 114.747 -177.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -13.91 15.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.354 -1.466 . . . . 0.0 109.418 173.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 C--O 1.241 0.645 0 O-C-N 120.604 -1.31 . . . . 0.0 111.293 170.45 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.443 -0.784 0 CA-C-O 121.562 0.696 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.6 mt 50.6 55.73 16.81 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.36 -29.11 63.14 Favored 'Trans proline' 0 CA--C 1.518 -0.288 0 C-N-CA 123.247 2.632 . . . . 0.0 112.426 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -61.48 -38.29 79.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 124.863 1.265 . . . . 0.0 112.924 172.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.15 -43.59 86.57 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.998 -1.064 . . . . 0.0 111.639 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.55 98.61 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.921 -1.112 . . . . 0.0 112.915 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.33 -47.63 83.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.55 -37.17 84.4 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 119.831 -1.793 . . . . 0.0 113.065 176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.72 93.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.76 -1.212 . . . . 0.0 113.16 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.07 98.74 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 121.131 -0.981 . . . . 0.0 113.569 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -163.2 12.78 0.06 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -175.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.99 40.62 1.71 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-O 116.786 -2.119 . . . . 0.0 116.723 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.62 -22.16 8.08 Favored 'Trans proline' 0 CA--C 1.513 -0.574 1 CA-C-N 125.956 4.878 . . . . 0.0 111.021 -165.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -44.09 95.5 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.07 -41.92 85.6 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.809 -1.182 . . . . 0.0 112.456 172.592 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -61.04 -41.59 96.87 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.743 1.217 . . . . 0.0 112.444 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 m -58.73 -39.93 82.31 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.464 1.506 . . . . 0.0 114.291 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.06 -47.44 65.33 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.206 -0.934 . . . . 0.0 112.859 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.95 1.3 . . . . 0.0 112.607 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -93.51 6.81 46.97 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.258 -1.526 . . . . 0.0 111.592 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 51.0 59.38 4.66 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 127.492 2.317 . . . . 0.0 114.024 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -36.14 3.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 120.406 -1.434 . . . . 0.0 112.736 -175.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 CA--C 1.512 -0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.262 -175.15 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.444 -0.725 0 CA-C-O 122.792 1.282 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mp -89.14 -7.05 0.11 Allowed Pre-proline 0 N--CA 1.444 -0.726 0 CA-C-O 113.904 -2.951 . . . . 0.0 118.479 -170.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.08 -34.17 14.01 Favored 'Trans proline' 0 C--N 1.35 0.612 1 CA-C-N 130.481 4.779 . . . . 0.0 112.095 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.2 pt -64.36 -41.49 92.49 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.779 0.832 . . . . 0.0 112.348 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.17 -43.34 99.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.696 1.199 . . . . 0.0 112.055 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.3 99.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.737 -1.227 . . . . 0.0 113.252 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.3 t -62.3 -48.95 77.62 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.11 -34.59 77.94 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.892 -1.755 . . . . 0.0 113.279 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.41 95.91 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.613 -1.305 . . . . 0.0 113.552 172.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.57 81.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.974 -1.079 . . . . 0.0 113.559 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -39.75 94.23 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.28 2.93 0.06 Allowed 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.03 23.16 37.05 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-O 115.348 -2.918 . . . . 0.0 119.015 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -75.77 -19.4 16.31 Favored 'Trans proline' 0 N--CA 1.459 -0.541 1 CA-C-N 128.578 6.189 . . . . 0.0 112.224 -160.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -64.79 -46.82 80.44 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.684 1.129 . . . . 0.0 113.421 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.08 -40.7 78.29 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.109 -0.994 . . . . 0.0 112.038 173.583 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.21 -34.91 75.85 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.106 -1.621 . . . . 0.0 113.068 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -61.99 -49.56 75.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.41 -1.431 . . . . 0.0 113.86 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.88 -43.12 65.94 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.484 -1.385 . . . . 0.0 114.35 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.08 -41.15 85.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 124.524 1.13 . . . . 0.0 113.852 -173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 p -96.14 14.79 22.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.82 -1.8 . . . . 0.0 112.19 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.274 30.1 tptt 54.86 45.98 25.43 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 124.669 2.176 . . . . 0.0 112.765 -174.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -102.25 -0.01 33.66 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 119.707 -1.871 . . . . 0.0 109.97 -174.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.441 -1.412 . . . . 0.0 109.878 167.493 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.636 0.732 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.7 mt 54.03 48.25 4.56 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 175.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.9 -38.78 2.72 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-N 122.963 2.094 . . . . 0.0 112.436 -164.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 pt -66.41 -35.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.346 0.447 0 CA-C-N 118.831 0.742 . . . . 0.0 112.553 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.05 -43.28 96.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.969 -1.082 . . . . 0.0 111.974 173.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.04 99.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.85 -1.156 . . . . 0.0 112.923 173.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 t -62.26 -47.88 82.38 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.92 -34.85 78.68 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.81 -1.806 . . . . 0.0 113.137 176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.525 -1.359 . . . . 0.0 112.98 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.515 -1.366 . . . . 0.0 113.622 170.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.51 -39.95 94.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.65 -0.56 0.04 OUTLIER 'General case' 0 C--N 1.35 0.601 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 175.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.64 44.62 1.47 Allowed Glycine 0 C--N 1.35 1.343 0 CA-C-O 116.16 -2.467 . . . . 0.0 117.175 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -82.21 -28.17 2.05 Favored 'Trans proline' 0 CA--C 1.508 -0.786 1 CA-C-N 127.043 5.422 . . . . 0.0 111.765 -158.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -63.8 -41.12 97.98 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.467 1.031 . . . . 0.0 113.488 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.88 -43.76 95.07 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.908 -1.12 . . . . 0.0 113.101 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.71 -41.62 98.07 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.135 -1.603 . . . . 0.0 112.018 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.45 -42.31 99.37 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.561 1.545 . . . . 0.0 114.304 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -71.85 -43.4 65.58 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.268 -1.52 . . . . 0.0 114.261 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.61 -42.03 94.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 O-C-N 121.067 -1.021 . . . . 0.0 111.644 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -89.47 34.03 0.82 Allowed 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.064 -1.648 . . . . 0.0 112.616 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 tptt 69.55 -22.29 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 129.208 3.003 . . . . 0.0 117.75 168.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -61.94 -43.26 99.21 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.241 0.653 0 O-C-N 120.578 -1.327 . . . . 0.0 111.382 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 N--CA 1.439 -1.009 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -154.01 13.06 0.01 OUTLIER Pre-proline 0 C--N 1.348 0.517 0 N-CA-C 118.469 2.766 . . . . 0.0 118.469 -172.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.42 -40.66 13.78 Favored 'Trans proline' 0 C--N 1.347 0.458 1 CA-C-N 129.065 4.273 . . . . 0.0 113.154 -173.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.8 pt -64.49 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 124.193 0.997 . . . . 0.0 112.534 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.69 -44.19 94.41 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.259 1.424 . . . . 0.0 111.987 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.36 99.01 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.675 -1.265 . . . . 0.0 112.999 173.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.36 -47.94 81.98 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.34 -37.13 84.63 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.772 -1.83 . . . . 0.0 113.165 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.87 96.99 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.95 -1.094 . . . . 0.0 113.367 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.77 84.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -63.24 -45.12 93.07 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.71 3.22 0.03 OUTLIER 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -174.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.19 23.85 33.07 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 115.293 -2.948 . . . . 0.0 118.253 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.25 -21.63 15.2 Favored 'Trans proline' 0 N--CA 1.46 -0.476 1 CA-C-N 128.512 6.156 . . . . 0.0 112.191 -160.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.04 -44.64 88.44 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.44 1.018 . . . . 0.0 113.232 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.73 -39.8 84.24 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.974 -1.079 . . . . 0.0 112.611 173.32 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -59.5 -40.44 87.05 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.612 -1.305 . . . . 0.0 112.372 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 t -59.9 -50.67 72.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.277 2.6 pt? -73.65 -42.33 61.53 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.31 -1.494 . . . . 0.0 113.779 178.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.93 -37.92 78.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 124.645 1.178 . . . . 0.0 112.727 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -95.29 9.35 40.15 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.349 -1.47 . . . . 0.0 112.98 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.28 27.0 tptt 53.82 44.31 29.72 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 124.666 2.174 . . . . 0.0 112.995 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -98.47 -4.96 33.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 119.676 -1.89 . . . . 0.0 109.73 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.241 0.639 0 O-C-N 120.464 -1.397 . . . . 0.0 110.417 172.005 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 N--CA 1.438 -1.035 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.22 9.09 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.513 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 -172.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.55 -38.93 13.25 Favored 'Trans proline' 0 C--N 1.35 0.634 1 CA-C-N 129.346 4.374 . . . . 0.0 112.58 -175.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.18 -39.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 124.293 1.037 . . . . 0.0 112.489 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.92 -44.44 92.89 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.145 1.378 . . . . 0.0 112.151 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.26 99.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.732 -1.23 . . . . 0.0 112.936 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 t -62.23 -48.38 80.23 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.47 -35.6 80.67 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.906 -1.747 . . . . 0.0 113.176 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.77 95.28 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.749 -1.22 . . . . 0.0 113.094 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.84 87.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.855 -1.153 . . . . 0.0 113.665 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -38.94 92.36 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.97 -0.6 0.03 OUTLIER 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 174.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.06 34.9 5.44 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 115.609 -2.773 . . . . 0.0 118.502 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -79.61 -21.02 8.94 Favored 'Trans proline' 0 CA--C 1.511 -0.661 1 CA-C-N 128.013 5.907 . . . . 0.0 111.237 -162.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.91 -43.27 96.48 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.52 -41.71 83.94 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.975 -1.078 . . . . 0.0 112.596 172.42 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -61.53 -41.77 97.82 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.368 -1.458 . . . . 0.0 112.32 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.12 -43.72 95.42 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.259 3.5 pp -72.26 -43.22 64.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.208 -1.558 . . . . 0.0 113.687 174.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.38 -41.78 93.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.581 1.152 . . . . 0.0 112.832 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -92.11 11.83 24.13 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.022 -1.673 . . . . 0.0 111.573 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 19.5 tptm 45.4 60.44 3.05 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.126 2.57 . . . . 0.0 114.369 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -12.18 15.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.163 -1.586 . . . . 0.0 109.674 173.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.348 0.501 0 O-C-N 121.0 -1.063 . . . . 0.0 110.057 174.863 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 N--CA 1.442 -0.833 0 CA-C-O 123.309 1.528 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -64.05 -34.45 11.93 Favored Pre-proline 0 N--CA 1.445 -0.694 0 N-CA-C 119.46 3.133 . . . . 0.0 119.46 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.71 -37.8 11.57 Favored 'Trans proline' 0 C--N 1.347 0.49 1 CA-C-N 128.912 4.219 . . . . 0.0 113.386 -168.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -65.1 -41.51 92.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-N 119.138 0.881 . . . . 0.0 112.026 173.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.83 -44.62 95.67 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 125.261 1.424 . . . . 0.0 111.922 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.16 98.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 120.55 -1.344 . . . . 0.0 113.239 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.25 -49.87 73.99 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.66 -37.42 84.76 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.064 -1.647 . . . . 0.0 113.14 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.454 -1.404 . . . . 0.0 113.612 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.41 83.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 120.416 -1.427 . . . . 0.0 113.611 167.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.7 7.71 0.36 Allowed 'General case' 0 C--N 1.348 0.501 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.45 26.35 18.63 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-O 115.449 -2.862 . . . . 0.0 118.389 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.91 -32.58 54.65 Favored 'Trans proline' 0 N--CA 1.462 -0.371 1 CA-C-N 127.466 5.633 . . . . 0.0 114.727 -160.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.93 -45.87 80.3 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 119.879 1.218 . . . . 0.0 113.532 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -68.29 -36.91 80.07 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.732 -1.23 . . . . 0.0 112.321 173.683 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.74 -44.68 90.58 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.891 -1.131 . . . . 0.0 111.758 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.97 -49.7 75.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.91 -40.24 91.3 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.52 -51.24 65.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.361 -1.462 . . . . 0.0 111.895 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 p -67.07 -37.79 84.61 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 91.01 17.92 0.03 OUTLIER 'General case' 0 C--N 1.352 0.683 0 C-N-CA 128.301 2.64 . . . . 0.0 112.281 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.73 -36.53 84.17 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.554 -1.341 . . . . 0.0 114.387 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.511 -0.553 0 O-C-N 120.879 -1.138 . . . . 0.0 108.888 178.168 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 121.659 0.742 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.5 mt 51.32 53.94 14.24 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 117.163 2.283 . . . . 0.0 117.163 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.0 -31.12 47.09 Favored 'Trans proline' 0 CA--C 1.518 -0.297 0 C-N-CA 123.195 2.597 . . . . 0.0 112.555 -171.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -62.73 -38.93 82.96 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.454 1.102 . . . . 0.0 112.898 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.7 -43.17 85.11 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.929 -1.107 . . . . 0.0 111.188 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.62 98.5 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 173.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -62.45 -48.0 81.57 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.34 -37.18 84.74 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 119.673 -1.892 . . . . 0.0 113.162 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.37 97.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 120.68 -1.263 . . . . 0.0 113.136 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.79 94.05 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.007 -1.058 . . . . 0.0 113.799 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -62.35 -44.91 95.38 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.4 1.57 0.03 OUTLIER 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.11 19.96 39.25 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-O 114.888 -3.173 . . . . 0.0 118.282 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.55 -24.57 55.96 Favored 'Trans proline' 0 CA--C 1.514 -0.482 1 CA-C-N 127.978 5.889 . . . . 0.0 114.762 -151.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -60.86 -37.58 82.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -42.32 94.94 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.695 1.588 . . . . 0.0 112.809 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.09 97.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.492 -1.38 . . . . 0.0 111.384 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 m -60.65 -42.68 97.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.83 -44.56 55.34 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.989 1.268 . . . . 0.0 113.366 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.77 -40.27 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 121.062 -1.024 . . . . 0.0 112.244 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.6 p -96.81 20.69 10.6 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.534 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 tptt 68.3 -19.66 0.15 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -56.39 -42.15 77.46 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 116.812 2.152 . . . . 0.0 116.812 -169.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.241 0.657 0 O-C-N 120.36 -1.463 . . . . 0.0 111.783 -177.05 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.5 t80 . . . . . 0 N--CA 1.436 -1.154 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' H ' ' CD ' ' A' ' 3' ' ' PRO . 2.4 pt? -159.73 -1.2 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.552 0 N-CA-C 119.314 3.079 . . . . 0.0 119.314 -172.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' CD ' ' H ' ' A' ' 2' ' ' LEU . 54.7 Cg_endo -69.08 -36.1 13.3 Favored 'Trans proline' 0 C--N 1.348 0.51 1 CA-C-N 130.229 4.689 . . . . 0.0 112.081 -177.114 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -63.67 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 124.055 0.942 . . . . 0.0 112.344 171.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.98 -44.41 92.77 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.361 1.464 . . . . 0.0 111.867 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.26 99.23 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 120.801 -1.187 . . . . 0.0 113.09 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 t -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.61 -36.62 83.06 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 119.749 -1.844 . . . . 0.0 113.204 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.57 96.58 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.787 -1.196 . . . . 0.0 113.375 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.36 88.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 172.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -62.65 -44.86 95.2 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.86 1.88 0.03 OUTLIER 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.6 16.53 58.7 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-O 114.925 -3.153 . . . . 0.0 118.981 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.95 -22.73 12.93 Favored 'Trans proline' 0 CA--C 1.512 -0.592 1 CA-C-N 128.563 6.182 . . . . 0.0 112.28 -155.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -65.19 -42.63 93.4 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 118.978 0.808 . . . . 0.0 112.711 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.39 86.37 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 121.151 -0.968 . . . . 0.0 110.94 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -61.94 -42.16 98.79 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 113.635 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.363 -1.461 . . . . 0.0 114.131 174.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.49 -51.53 59.36 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.664 -1.273 . . . . 0.0 113.174 171.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.39 -42.99 96.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.169 0.988 . . . . 0.0 112.854 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 p -98.83 15.97 23.78 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.025 -1.672 . . . . 0.0 112.081 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tptm 55.96 57.51 5.08 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -111.07 -1.81 16.12 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.105 -1.622 . . . . 0.0 109.813 160.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--N 1.347 0.498 0 O-C-N 120.096 -1.628 . . . . 0.0 109.21 168.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 N--CA 1.444 -0.752 0 CA-C-O 122.556 1.17 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.5 pt? -95.86 -5.49 0.11 Allowed Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 119.162 3.023 . . . . 0.0 119.162 -176.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -75.09 -39.5 1.16 Allowed 'Trans proline' 0 C--N 1.349 0.571 1 CA-C-N 130.107 4.645 . . . . 0.0 111.773 -171.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -39.48 85.62 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 124.374 1.069 . . . . 0.0 112.05 172.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 125.215 1.406 . . . . 0.0 112.169 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.93 99.8 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.533 -1.355 . . . . 0.0 113.198 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.1 t -62.27 -48.64 79.04 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.75 -35.29 79.76 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.895 -1.753 . . . . 0.0 113.064 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.08 97.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.655 -1.278 . . . . 0.0 113.337 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.48 83.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.764 -1.21 . . . . 0.0 113.623 169.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -39.72 94.2 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.82 2.81 0.07 Allowed 'General case' 0 C--N 1.347 0.49 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.58 21.09 45.5 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 115.301 -2.944 . . . . 0.0 118.955 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.14 -26.09 13.09 Favored 'Trans proline' 0 CA--C 1.513 -0.562 1 CA-C-N 128.381 6.09 . . . . 0.0 112.529 -158.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -65.49 -44.9 85.61 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.68 1.127 . . . . 0.0 113.294 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -67.46 -40.68 85.37 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.479 -1.388 . . . . 0.0 112.468 172.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -59.52 -42.31 91.96 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.81 -1.181 . . . . 0.0 112.46 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 t -59.32 -43.85 92.65 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 126.143 1.777 . . . . 0.0 113.359 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.66 -50.92 39.48 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.91 -40.9 90.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 112.913 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.9 p -104.29 20.56 18.18 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 120.522 -1.361 . . . . 0.0 111.605 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.27 39.6 tptt 54.68 53.52 10.49 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 168.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -101.38 -6.73 23.68 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 119.657 -1.902 . . . . 0.0 110.283 166.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.24 0.596 0 O-C-N 119.961 -1.712 . . . . 0.0 111.336 178.455 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 CA--C 1.517 -0.334 0 CA-C-O 119.166 -0.431 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -66.42 -39.94 85.33 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 119.207 0.912 . . . . 0.0 111.975 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.377 1.071 . . . . 0.0 112.413 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.86 99.74 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.438 -1.414 . . . . 0.0 113.274 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.9 t -62.96 -44.97 94.59 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.88 -1.138 . . . . 0.0 113.794 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.31 -34.93 75.42 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.911 -1.743 . . . . 0.0 112.877 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.08 97.9 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.684 -1.26 . . . . 0.0 113.389 172.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.9 97.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.28 3.5 0.08 Allowed 'General case' 0 C--N 1.349 0.545 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.0 18.61 45.84 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-O 115.031 -3.094 . . . . 0.0 119.04 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.19 -22.32 19.25 Favored 'Trans proline' 0 CA--C 1.514 -0.478 1 CA-C-N 128.567 6.184 . . . . 0.0 112.051 -161.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.68 -45.1 88.1 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 123.805 0.842 . . . . 0.0 113.12 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -72.28 -39.8 68.08 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.986 171.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -61.08 -42.26 98.16 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.354 -1.466 . . . . 0.0 113.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.419 -1.426 . . . . 0.0 114.619 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.263 3.5 pp -71.69 -44.15 64.71 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.986 -1.696 . . . . 0.0 113.072 175.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.22 -42.75 97.6 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 C-N-CA 124.24 1.016 . . . . 0.0 112.768 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 p -95.84 17.38 15.3 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.943 -1.723 . . . . 0.0 112.137 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.312 38.9 tptt 48.73 58.33 5.4 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 128.427 2.691 . . . . 0.0 115.699 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -119.86 -0.95 10.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.318 -1.489 . . . . 0.0 110.676 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.457 -1.402 . . . . 0.0 110.064 166.859 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--O 1.231 0.14 0 N-CA-C 113.11 0.389 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -64.66 -38.67 83.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 124.122 0.969 . . . . 0.0 112.419 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.57 -44.54 93.8 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.307 1.443 . . . . 0.0 112.004 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.13 99.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.744 -1.223 . . . . 0.0 113.046 173.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.3 -48.31 80.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.87 -35.66 80.53 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 119.833 -1.792 . . . . 0.0 113.033 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.26 97.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.774 -1.203 . . . . 0.0 113.442 173.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.97 88.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.904 -1.122 . . . . 0.0 113.449 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.28 -41.05 97.08 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 7.18 0.13 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.32 20.27 35.46 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 115.215 -2.992 . . . . 0.0 118.211 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.99 -29.69 14.67 Favored 'Trans proline' 0 CA--C 1.513 -0.528 1 CA-C-N 128.308 6.054 . . . . 0.0 112.786 -157.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.51 -43.03 91.34 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.37 -40.08 81.57 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.662 -1.274 . . . . 0.0 112.267 173.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -61.8 -39.2 90.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.611 -1.306 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.94 -43.76 94.77 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.84 1.656 . . . . 0.0 113.158 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.94 -52.25 38.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.993 -1.067 . . . . 0.0 113.311 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.24 -41.91 94.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 C-N-CA 125.23 1.412 . . . . 0.0 112.796 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -93.46 8.79 39.2 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.958 -1.714 . . . . 0.0 111.894 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.265 0.6 OUTLIER 78.28 23.44 0.7 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.948 1.699 . . . . 0.0 114.419 164.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -44.07 70.68 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.047 -2.283 . . . . 0.0 111.548 170.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.238 0.485 0 O-C-N 120.564 -1.335 . . . . 0.0 113.525 -172.723 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 N--CA 1.463 -0.306 0 CA-C-O 119.283 -0.382 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.6 pt -67.21 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 111.949 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.07 -44.64 96.24 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 112.461 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.17 98.97 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.574 -1.328 . . . . 0.0 113.334 173.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -61.75 -48.06 82.39 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.147 -0.971 . . . . 0.0 113.454 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.61 -36.31 80.59 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.998 -1.689 . . . . 0.0 113.28 174.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.89 97.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 120.71 -1.244 . . . . 0.0 113.615 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.35 84.23 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 121.006 -1.059 . . . . 0.0 113.66 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -65.74 -40.91 92.61 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -156.79 -5.24 0.1 Allowed 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.087 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.09 17.37 58.17 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 114.942 -3.143 . . . . 0.0 119.765 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.74 -27.03 12.98 Favored 'Trans proline' 0 CA--C 1.514 -0.518 1 CA-C-N 128.794 6.297 . . . . 0.0 112.652 -157.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.55 -45.85 81.8 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.453 1.024 . . . . 0.0 113.382 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.29 -38.74 81.95 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.815 -1.178 . . . . 0.0 112.332 173.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.23 -40.61 90.81 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.556 -1.34 . . . . 0.0 112.941 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.34 -41.32 93.35 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.508 -1.37 . . . . 0.0 113.254 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.63 -43.9 83.47 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.672 -1.267 . . . . 0.0 114.081 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.86 -48.04 89.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.158 -1.589 . . . . 0.0 112.413 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 p -63.28 -36.76 84.75 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 113.28 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 90.87 22.22 0.03 OUTLIER 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.786 2.434 . . . . 0.0 112.28 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -18.46 57.85 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.29 -1.506 . . . . 0.0 110.678 169.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.446 -0.656 0 C-N-CA 125.309 1.444 . . . . 0.0 107.658 169.029 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 CA--C 1.516 -0.41 0 CA-C-O 119.04 -0.483 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 pt -65.94 -40.83 88.52 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 CA-C-N 119.131 0.878 . . . . 0.0 112.012 174.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.97 -44.7 96.2 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.438 1.095 . . . . 0.0 112.512 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.96 99.82 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.502 -1.373 . . . . 0.0 113.464 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.25 -48.59 79.29 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 123.861 0.865 . . . . 0.0 113.24 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.6 -36.73 83.33 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.062 -1.649 . . . . 0.0 113.031 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.18 97.52 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 120.806 -1.184 . . . . 0.0 113.799 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.38 93.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.712 -1.242 . . . . 0.0 113.152 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.2 -41.72 96.95 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.29 14.25 0.25 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.27 39.43 2.01 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 116.768 -2.129 . . . . 0.0 116.662 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -75.18 -28.98 8.41 Favored 'Trans proline' 0 N--CA 1.459 -0.508 1 CA-C-N 125.824 4.812 . . . . 0.0 111.764 -166.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -67.0 -44.13 81.15 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 119.21 0.914 . . . . 0.0 113.434 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.04 -41.26 91.11 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.949 -1.719 . . . . 0.0 111.948 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -62.36 -38.78 90.88 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.561 -1.337 . . . . 0.0 113.617 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -65.12 -41.57 94.76 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.931 -1.731 . . . . 0.0 113.727 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.87 -47.51 77.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.832 -1.167 . . . . 0.0 113.912 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.91 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 22.19 16.29 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.121 -1.612 . . . . 0.0 111.928 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 tptm 57.06 49.26 14.06 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 123.556 1.646 . . . . 0.0 114.895 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -103.52 -0.27 30.04 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.65 -1.906 . . . . 0.0 110.546 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m . . . . . 0 C--N 1.348 0.512 0 O-C-N 120.551 -1.343 . . . . 0.0 109.131 168.761 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.518 -0.294 0 CA-C-O 119.242 -0.399 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.4 pt -66.51 -40.08 85.54 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 118.985 0.811 . . . . 0.0 111.849 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.0 -44.84 95.88 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.383 1.073 . . . . 0.0 112.478 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.6 -1.312 . . . . 0.0 113.369 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.12 -48.29 80.79 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.326 -0.859 . . . . 0.0 113.243 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.83 -35.95 81.24 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.95 -1.719 . . . . 0.0 113.077 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.44 97.27 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.861 -1.149 . . . . 0.0 113.526 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.22 84.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.046 -1.034 . . . . 0.0 113.585 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.45 -41.12 96.73 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.02 5.9 0.1 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.26 17.59 53.46 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 115.128 -3.04 . . . . 0.0 118.926 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.64 -21.49 16.67 Favored 'Trans proline' 0 CA--C 1.514 -0.523 1 CA-C-N 128.686 6.243 . . . . 0.0 111.402 -160.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -43.93 97.35 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 123.981 0.912 . . . . 0.0 112.939 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.489 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -74.66 -41.03 61.04 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.923 0.889 . . . . 0.0 112.366 171.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -59.35 -38.71 81.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.134 -1.604 . . . . 0.0 112.744 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 t -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.212 1.805 . . . . 0.0 114.557 173.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.25 3.0 pp -77.35 -42.99 34.45 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.06 -1.65 . . . . 0.0 112.493 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.65 -41.49 90.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 125.03 1.332 . . . . 0.0 112.805 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p -92.66 9.66 33.89 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.06 -1.65 . . . . 0.0 112.035 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.279 48.3 tptt 50.4 61.54 3.15 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 126.271 1.828 . . . . 0.0 114.137 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -112.66 -9.31 13.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 120.17 -1.581 . . . . 0.0 110.269 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.241 0.61 0 O-C-N 120.267 -1.521 . . . . 0.0 110.929 172.673 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 119.821 -0.158 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 pt -63.83 -39.71 86.41 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 124.036 0.934 . . . . 0.0 112.341 171.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.94 -44.58 92.43 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.437 1.495 . . . . 0.0 111.847 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.94 99.67 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.733 -1.229 . . . . 0.0 113.102 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -62.08 -48.34 80.64 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.31 -36.38 81.35 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.944 -1.723 . . . . 0.0 113.41 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.18 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.703 -1.248 . . . . 0.0 113.636 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.12 77.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.33 -41.23 89.94 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.49 -2.44 0.12 Allowed 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.801 -1.187 . . . . 0.0 113.763 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.27 18.52 56.39 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-O 114.971 -3.127 . . . . 0.0 119.26 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.45 -26.69 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.523 1 CA-C-N 128.553 6.177 . . . . 0.0 112.667 -160.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -65.02 -45.05 87.08 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.562 1.074 . . . . 0.0 113.276 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -69.49 -40.44 77.03 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.648 -1.282 . . . . 0.0 112.32 171.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.84 -36.31 78.79 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.043 -1.66 . . . . 0.0 113.017 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 120.561 -1.337 . . . . 0.0 113.785 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -71.63 -42.18 67.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.881 -1.137 . . . . 0.0 114.057 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.78 -41.79 86.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -103.32 20.58 17.49 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.093 -1.63 . . . . 0.0 111.761 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.271 35.2 tptt 56.44 49.92 14.03 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 123.69 1.709 . . . . 0.0 114.755 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -98.56 -3.45 36.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 119.221 -2.174 . . . . 0.0 110.762 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.24 0.602 0 O-C-N 120.507 -1.371 . . . . 0.0 110.557 176.314 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 CA--C 1.517 -0.341 0 N-CA-C 112.988 0.342 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -63.04 -39.84 86.73 Favored 'Isoleucine or valine' 0 C--N 1.345 0.403 0 C-N-CA 124.144 0.978 . . . . 0.0 112.7 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.29 -43.64 85.79 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 121.047 -1.033 . . . . 0.0 111.445 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.98 98.65 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.9 -1.125 . . . . 0.0 113.255 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.45 -48.93 77.46 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.66 -36.74 83.25 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 119.841 -1.787 . . . . 0.0 113.059 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.75 98.42 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.604 1.162 . . . . 0.0 113.482 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.85 84.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.412 -1.43 . . . . 0.0 113.623 169.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.32 -41.13 96.96 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -154.63 12.05 0.39 Allowed 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.034 -1.666 . . . . 0.0 115.115 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 20.11 34.66 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-O 115.483 -2.843 . . . . 0.0 117.479 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.03 -27.87 29.43 Favored 'Trans proline' 0 C--N 1.348 0.508 1 CA-C-N 127.505 5.653 . . . . 0.0 113.303 -157.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -63.38 -44.92 93.35 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.504 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -72.88 -39.85 66.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.223 -0.923 . . . . 0.0 112.288 171.454 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -60.19 -40.81 91.33 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.275 -1.516 . . . . 0.0 112.65 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 t -59.76 -45.28 92.72 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.087 1.755 . . . . 0.0 114.239 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.38 -43.53 60.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.707 -1.246 . . . . 0.0 113.336 177.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.4 -42.34 95.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 124.496 1.118 . . . . 0.0 112.385 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -96.13 17.52 15.46 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.281 -1.512 . . . . 0.0 111.755 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.73 17.89 4.33 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 157.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -81.14 -21.05 40.08 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 118.974 -2.329 . . . . 0.0 112.477 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.24 0.562 0 O-C-N 120.092 -1.63 . . . . 0.0 111.784 175.889 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.462 -0.376 0 CA-C-O 119.045 -0.481 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 pt -66.69 -40.28 85.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 119.241 0.928 . . . . 0.0 112.055 174.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.96 -44.86 95.86 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.481 1.112 . . . . 0.0 112.466 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.04 99.77 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.656 -1.277 . . . . 0.0 113.363 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 t -62.3 -48.22 80.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.324 -0.86 . . . . 0.0 113.272 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.51 -37.1 84.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.037 -1.664 . . . . 0.0 113.032 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.74 96.49 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 120.791 -1.193 . . . . 0.0 113.497 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.16 95.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.694 -1.254 . . . . 0.0 113.255 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -63.94 -41.56 97.58 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.35 13.43 0.24 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 37.46 2.31 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 116.449 -2.306 . . . . 0.0 117.121 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.17 -23.19 10.59 Favored 'Trans proline' 0 CA--C 1.515 -0.468 1 CA-C-N 126.453 5.126 . . . . 0.0 110.824 -167.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.7 -44.09 87.2 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.909 0.883 . . . . 0.0 113.216 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.49 -40.38 77.06 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.517 -1.364 . . . . 0.0 111.914 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -61.19 -42.67 99.0 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.866 -1.146 . . . . 0.0 113.344 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -65.04 -32.69 74.53 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.278 -1.514 . . . . 0.0 114.056 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.7 mt -68.72 -49.73 56.5 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.478 -1.388 . . . . 0.0 112.645 171.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.47 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 125.205 1.402 . . . . 0.0 112.84 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -91.75 7.33 42.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.078 -1.639 . . . . 0.0 112.091 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.294 47.2 tptt 48.76 60.62 3.57 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.764 2.026 . . . . 0.0 114.35 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -115.76 -8.62 12.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.517 -1.364 . . . . 0.0 110.337 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--O 1.242 0.674 0 O-C-N 120.093 -1.629 . . . . 0.0 110.837 167.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 C--O 1.231 0.164 0 N-CA-C 113.364 0.486 . . . . 0.0 113.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.6 pt -65.84 -38.68 82.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 CA-C-N 118.895 0.77 . . . . 0.0 112.455 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.98 -44.04 97.14 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.517 1.127 . . . . 0.0 112.442 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.766 -1.209 . . . . 0.0 112.919 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.25 -48.01 81.82 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 119.569 -1.957 . . . . 0.0 113.385 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.22 98.88 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.692 1.197 . . . . 0.0 113.911 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.1 97.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.151 -1.593 . . . . 0.0 112.917 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.29 94.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.9 16.36 0.67 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -128.65 41.05 1.62 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-O 117.168 -1.907 . . . . 0.0 115.127 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -67.89 -29.6 34.47 Favored 'Trans proline' 0 N--CA 1.461 -0.436 1 CA-C-N 124.845 4.322 . . . . 0.0 112.732 -169.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -66.68 -44.26 82.27 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 119.258 0.935 . . . . 0.0 113.386 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.44 -39.97 85.44 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.418 -1.426 . . . . 0.0 111.947 172.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -61.95 -39.68 92.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.224 -1.548 . . . . 0.0 113.221 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 p -66.31 -43.62 85.72 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.138 -1.601 . . . . 0.0 114.536 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 3.2 pp -68.79 -43.07 76.44 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.506 -1.371 . . . . 0.0 114.422 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.97 -42.11 88.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -104.24 21.9 15.73 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.001 -1.687 . . . . 0.0 111.235 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.262 0.3 OUTLIER 52.14 49.12 21.3 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.528 1.931 . . . . 0.0 115.957 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -94.99 -7.85 38.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 119.872 -1.767 . . . . 0.0 109.885 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.24 0.591 0 O-C-N 120.626 -1.296 . . . . 0.0 110.59 167.038 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 CA--C 1.519 -0.264 0 CA-C-O 119.957 -0.101 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -64.66 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 124.067 0.947 . . . . 0.0 112.448 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.52 -43.45 97.13 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.784 1.234 . . . . 0.0 111.994 173.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.41 98.91 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.809 -1.182 . . . . 0.0 113.246 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.28 -48.28 80.6 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.25 3.4 pp -66.99 -35.51 80.12 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 119.734 -1.854 . . . . 0.0 113.15 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.13 99.37 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.761 -1.212 . . . . 0.0 113.344 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.38 88.36 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.515 -1.365 . . . . 0.0 113.506 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -63.81 -40.78 97.45 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -155.53 9.29 0.28 Allowed 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.963 -1.711 . . . . 0.0 115.43 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.2 19.18 35.12 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-O 115.182 -3.01 . . . . 0.0 117.836 172.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.15 -20.15 16.85 Favored 'Trans proline' 0 CA--C 1.511 -0.629 1 CA-C-N 128.06 5.93 . . . . 0.0 112.718 -151.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 119.496 1.044 . . . . 0.0 112.644 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.83 -45.35 86.55 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 124.0 0.92 . . . . 0.0 111.402 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.12 -40.69 94.72 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.544 -1.348 . . . . 0.0 112.486 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.57 -45.63 93.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.769 1.628 . . . . 0.0 114.025 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.69 -45.63 43.09 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.323 -1.486 . . . . 0.0 113.683 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.58 -42.21 95.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.994 -1.066 . . . . 0.0 112.883 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 p -94.64 9.11 40.03 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.926 -1.734 . . . . 0.0 111.925 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 tptm 58.32 60.48 2.61 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -24.84 15.28 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.088 -1.632 . . . . 0.0 108.554 159.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--N 1.348 0.534 0 O-C-N 120.191 -1.568 . . . . 0.0 111.057 -179.435 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo . . . . . 0 CA--C 1.518 -0.301 0 CA-C-O 119.295 -0.377 . . . . 0.0 112.764 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.2 pt -66.14 -39.57 84.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 CA-C-N 118.99 0.814 . . . . 0.0 112.299 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.59 -44.53 96.07 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.109 -0.994 . . . . 0.0 112.268 174.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.32 96.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.995 -1.066 . . . . 0.0 112.988 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.63 -47.92 81.62 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.25 -0.906 . . . . 0.0 113.291 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.254 3.0 pp -66.06 -39.68 90.28 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.672 -1.893 . . . . 0.0 113.297 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.54 93.61 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.347 1.459 . . . . 0.0 113.927 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.39 98.57 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 119.938 -1.727 . . . . 0.0 112.378 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -36.37 83.71 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.75 11.65 0.43 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.3 48.26 0.79 Allowed Glycine 0 C--N 1.344 1.023 0 O-C-N 119.509 -1.994 . . . . 0.0 115.34 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.97 -17.5 19.57 Favored 'Trans proline' 0 N--CA 1.46 -0.471 1 CA-C-N 124.467 4.134 . . . . 0.0 111.203 -170.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -63.62 -42.8 98.16 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -68.78 -40.57 79.62 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.233 -1.542 . . . . 0.0 112.22 171.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -61.9 -44.25 97.19 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.516 -1.365 . . . . 0.0 112.903 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -65.94 -36.63 83.87 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.12 -43.3 71.29 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 119.981 -1.7 . . . . 0.0 113.237 173.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.39 -41.17 90.71 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.653 1.181 . . . . 0.0 112.678 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.8 p -91.23 10.45 27.11 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.946 -1.721 . . . . 0.0 111.631 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.273 26.0 tptp 42.95 57.55 3.6 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 128.753 2.821 . . . . 0.0 114.747 -177.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -13.91 15.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.354 -1.466 . . . . 0.0 109.418 173.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 C--O 1.241 0.645 0 O-C-N 120.604 -1.31 . . . . 0.0 111.293 170.45 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 CA--C 1.518 -0.288 0 N-CA-C 112.426 0.125 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -61.48 -38.29 79.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 124.863 1.265 . . . . 0.0 112.924 172.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.15 -43.59 86.57 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.998 -1.064 . . . . 0.0 111.639 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.55 98.61 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.921 -1.112 . . . . 0.0 112.915 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.33 -47.63 83.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.55 -37.17 84.4 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 119.831 -1.793 . . . . 0.0 113.065 176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.72 93.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.76 -1.212 . . . . 0.0 113.16 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.07 98.74 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 121.131 -0.981 . . . . 0.0 113.569 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -163.2 12.78 0.06 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -175.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.99 40.62 1.71 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-O 116.786 -2.119 . . . . 0.0 116.723 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.62 -22.16 8.08 Favored 'Trans proline' 0 CA--C 1.513 -0.574 1 CA-C-N 125.956 4.878 . . . . 0.0 111.021 -165.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -44.09 95.5 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.07 -41.92 85.6 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.809 -1.182 . . . . 0.0 112.456 172.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -61.04 -41.59 96.87 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.743 1.217 . . . . 0.0 112.444 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 m -58.73 -39.93 82.31 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.464 1.506 . . . . 0.0 114.291 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.06 -47.44 65.33 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.206 -0.934 . . . . 0.0 112.859 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.95 1.3 . . . . 0.0 112.607 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -93.51 6.81 46.97 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.258 -1.526 . . . . 0.0 111.592 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 51.0 59.38 4.66 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 127.492 2.317 . . . . 0.0 114.024 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -36.14 3.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 120.406 -1.434 . . . . 0.0 112.736 -175.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 CA--C 1.512 -0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.262 -175.15 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 CA--C 1.518 -0.278 0 CA-C-O 119.457 -0.31 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.2 pt -64.36 -41.49 92.49 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.779 0.832 . . . . 0.0 112.348 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.17 -43.34 99.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.696 1.199 . . . . 0.0 112.055 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.3 99.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.737 -1.227 . . . . 0.0 113.252 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.3 t -62.3 -48.95 77.62 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.11 -34.59 77.94 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.892 -1.755 . . . . 0.0 113.279 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.41 95.91 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.613 -1.305 . . . . 0.0 113.552 172.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.57 81.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.974 -1.079 . . . . 0.0 113.559 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -39.75 94.23 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.28 2.93 0.06 Allowed 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.03 23.16 37.05 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-O 115.348 -2.918 . . . . 0.0 119.015 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -75.77 -19.4 16.31 Favored 'Trans proline' 0 N--CA 1.459 -0.541 1 CA-C-N 128.578 6.189 . . . . 0.0 112.224 -160.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -64.79 -46.82 80.44 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.684 1.129 . . . . 0.0 113.421 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.08 -40.7 78.29 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.109 -0.994 . . . . 0.0 112.038 173.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.21 -34.91 75.85 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.106 -1.621 . . . . 0.0 113.068 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -61.99 -49.56 75.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.41 -1.431 . . . . 0.0 113.86 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.88 -43.12 65.94 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.484 -1.385 . . . . 0.0 114.35 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.08 -41.15 85.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 124.524 1.13 . . . . 0.0 113.852 -173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 p -96.14 14.79 22.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.82 -1.8 . . . . 0.0 112.19 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.274 30.1 tptt 54.86 45.98 25.43 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 124.669 2.176 . . . . 0.0 112.765 -174.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -102.25 -0.01 33.66 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 119.707 -1.871 . . . . 0.0 109.97 -174.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.441 -1.412 . . . . 0.0 109.878 167.493 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 CA--C 1.517 -0.361 0 CA-C-O 119.637 -0.235 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 pt -66.41 -35.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.346 0.447 0 CA-C-N 118.831 0.742 . . . . 0.0 112.553 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.05 -43.28 96.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.969 -1.082 . . . . 0.0 111.974 173.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.04 99.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.85 -1.156 . . . . 0.0 112.923 173.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 t -62.26 -47.88 82.38 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.92 -34.85 78.68 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.81 -1.806 . . . . 0.0 113.137 176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.525 -1.359 . . . . 0.0 112.98 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.515 -1.366 . . . . 0.0 113.622 170.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.51 -39.95 94.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.65 -0.56 0.04 OUTLIER 'General case' 0 C--N 1.35 0.601 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 175.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.64 44.62 1.47 Allowed Glycine 0 C--N 1.35 1.343 0 CA-C-O 116.16 -2.467 . . . . 0.0 117.175 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -82.21 -28.17 2.05 Favored 'Trans proline' 0 CA--C 1.508 -0.786 1 CA-C-N 127.043 5.422 . . . . 0.0 111.765 -158.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -63.8 -41.12 97.98 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.467 1.031 . . . . 0.0 113.488 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.88 -43.76 95.07 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.908 -1.12 . . . . 0.0 113.101 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.71 -41.62 98.07 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.135 -1.603 . . . . 0.0 112.018 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.45 -42.31 99.37 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.561 1.545 . . . . 0.0 114.304 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -71.85 -43.4 65.58 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.268 -1.52 . . . . 0.0 114.261 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.61 -42.03 94.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 O-C-N 121.067 -1.021 . . . . 0.0 111.644 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -89.47 34.03 0.82 Allowed 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.064 -1.648 . . . . 0.0 112.616 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 tptt 69.55 -22.29 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 129.208 3.003 . . . . 0.0 117.75 168.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -61.94 -43.26 99.21 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.241 0.653 0 O-C-N 120.578 -1.327 . . . . 0.0 111.382 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 C--O 1.231 0.163 0 N-CA-C 113.154 0.406 . . . . 0.0 113.154 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.8 pt -64.49 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 124.193 0.997 . . . . 0.0 112.534 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.69 -44.19 94.41 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.259 1.424 . . . . 0.0 111.987 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.36 99.01 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.675 -1.265 . . . . 0.0 112.999 173.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.36 -47.94 81.98 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.34 -37.13 84.63 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.772 -1.83 . . . . 0.0 113.165 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.87 96.99 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.95 -1.094 . . . . 0.0 113.367 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.77 84.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -63.24 -45.12 93.07 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.71 3.22 0.03 OUTLIER 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -174.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.19 23.85 33.07 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 115.293 -2.948 . . . . 0.0 118.253 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.25 -21.63 15.2 Favored 'Trans proline' 0 N--CA 1.46 -0.476 1 CA-C-N 128.512 6.156 . . . . 0.0 112.191 -160.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.04 -44.64 88.44 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.44 1.018 . . . . 0.0 113.232 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.73 -39.8 84.24 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.974 -1.079 . . . . 0.0 112.611 173.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -59.5 -40.44 87.05 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.612 -1.305 . . . . 0.0 112.372 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 t -59.9 -50.67 72.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.277 2.6 pt? -73.65 -42.33 61.53 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.31 -1.494 . . . . 0.0 113.779 178.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.93 -37.92 78.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 124.645 1.178 . . . . 0.0 112.727 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -95.29 9.35 40.15 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.349 -1.47 . . . . 0.0 112.98 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.28 27.0 tptt 53.82 44.31 29.72 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 124.666 2.174 . . . . 0.0 112.995 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -98.47 -4.96 33.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 119.676 -1.89 . . . . 0.0 109.73 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.241 0.639 0 O-C-N 120.464 -1.397 . . . . 0.0 110.417 172.005 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.521 -0.128 0 N-CA-C 112.58 0.185 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.18 -39.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 124.293 1.037 . . . . 0.0 112.489 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.92 -44.44 92.89 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.145 1.378 . . . . 0.0 112.151 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.26 99.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.732 -1.23 . . . . 0.0 112.936 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 t -62.23 -48.38 80.23 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.47 -35.6 80.67 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.906 -1.747 . . . . 0.0 113.176 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.77 95.28 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.749 -1.22 . . . . 0.0 113.094 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.84 87.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.855 -1.153 . . . . 0.0 113.665 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -38.94 92.36 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.97 -0.6 0.03 OUTLIER 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 174.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.06 34.9 5.44 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 115.609 -2.773 . . . . 0.0 118.502 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -79.61 -21.02 8.94 Favored 'Trans proline' 0 CA--C 1.511 -0.661 1 CA-C-N 128.013 5.907 . . . . 0.0 111.237 -162.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.91 -43.27 96.48 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.52 -41.71 83.94 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.975 -1.078 . . . . 0.0 112.596 172.42 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -61.53 -41.77 97.82 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.368 -1.458 . . . . 0.0 112.32 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.12 -43.72 95.42 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.259 3.5 pp -72.26 -43.22 64.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.208 -1.558 . . . . 0.0 113.687 174.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.38 -41.78 93.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.581 1.152 . . . . 0.0 112.832 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -92.11 11.83 24.13 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.022 -1.673 . . . . 0.0 111.573 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 19.5 tptm 45.4 60.44 3.05 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.126 2.57 . . . . 0.0 114.369 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -12.18 15.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.163 -1.586 . . . . 0.0 109.674 173.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.348 0.501 0 O-C-N 121.0 -1.063 . . . . 0.0 110.057 174.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo . . . . . 0 CA--C 1.518 -0.291 0 N-CA-C 113.386 0.495 . . . . 0.0 113.386 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -65.1 -41.51 92.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-N 119.138 0.881 . . . . 0.0 112.026 173.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.83 -44.62 95.67 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 125.261 1.424 . . . . 0.0 111.922 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.16 98.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 120.55 -1.344 . . . . 0.0 113.239 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.25 -49.87 73.99 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.66 -37.42 84.76 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.064 -1.647 . . . . 0.0 113.14 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.454 -1.404 . . . . 0.0 113.612 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.41 83.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 120.416 -1.427 . . . . 0.0 113.611 167.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.7 7.71 0.36 Allowed 'General case' 0 C--N 1.348 0.501 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.45 26.35 18.63 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-O 115.449 -2.862 . . . . 0.0 118.389 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.91 -32.58 54.65 Favored 'Trans proline' 0 N--CA 1.462 -0.371 1 CA-C-N 127.466 5.633 . . . . 0.0 114.727 -160.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.93 -45.87 80.3 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 119.879 1.218 . . . . 0.0 113.532 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -68.29 -36.91 80.07 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.732 -1.23 . . . . 0.0 112.321 173.683 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.74 -44.68 90.58 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.891 -1.131 . . . . 0.0 111.758 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.97 -49.7 75.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.91 -40.24 91.3 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.52 -51.24 65.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.361 -1.462 . . . . 0.0 111.895 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 p -67.07 -37.79 84.61 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 91.01 17.92 0.03 OUTLIER 'General case' 0 C--N 1.352 0.683 0 C-N-CA 128.301 2.64 . . . . 0.0 112.281 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.73 -36.53 84.17 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.554 -1.341 . . . . 0.0 114.387 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.511 -0.553 0 O-C-N 120.879 -1.138 . . . . 0.0 108.888 178.168 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 CA--C 1.518 -0.297 0 N-CA-C 112.555 0.175 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -62.73 -38.93 82.96 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.454 1.102 . . . . 0.0 112.898 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.7 -43.17 85.11 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.929 -1.107 . . . . 0.0 111.188 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.62 98.5 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 173.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -62.45 -48.0 81.57 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.34 -37.18 84.74 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 119.673 -1.892 . . . . 0.0 113.162 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.37 97.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 120.68 -1.263 . . . . 0.0 113.136 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.79 94.05 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.007 -1.058 . . . . 0.0 113.799 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -62.35 -44.91 95.38 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.4 1.57 0.03 OUTLIER 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.11 19.96 39.25 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-O 114.888 -3.173 . . . . 0.0 118.282 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.55 -24.57 55.96 Favored 'Trans proline' 0 CA--C 1.514 -0.482 1 CA-C-N 127.978 5.889 . . . . 0.0 114.762 -151.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -60.86 -37.58 82.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -42.32 94.94 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.695 1.588 . . . . 0.0 112.809 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.09 97.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.492 -1.38 . . . . 0.0 111.384 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 m -60.65 -42.68 97.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.83 -44.56 55.34 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.989 1.268 . . . . 0.0 113.366 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.77 -40.27 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 121.062 -1.024 . . . . 0.0 112.244 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.6 p -96.81 20.69 10.6 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.534 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 tptt 68.3 -19.66 0.15 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -56.39 -42.15 77.46 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 116.812 2.152 . . . . 0.0 116.812 -169.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.241 0.657 0 O-C-N 120.36 -1.463 . . . . 0.0 111.783 -177.05 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 119.799 -0.167 . . . . 0.0 112.081 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -63.67 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 124.055 0.942 . . . . 0.0 112.344 171.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.98 -44.41 92.77 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.361 1.464 . . . . 0.0 111.867 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.26 99.23 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 120.801 -1.187 . . . . 0.0 113.09 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 t -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.61 -36.62 83.06 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 119.749 -1.844 . . . . 0.0 113.204 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.57 96.58 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.787 -1.196 . . . . 0.0 113.375 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.36 88.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 172.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -62.65 -44.86 95.2 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.86 1.88 0.03 OUTLIER 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.6 16.53 58.7 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-O 114.925 -3.153 . . . . 0.0 118.981 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.95 -22.73 12.93 Favored 'Trans proline' 0 CA--C 1.512 -0.592 1 CA-C-N 128.563 6.182 . . . . 0.0 112.28 -155.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -65.19 -42.63 93.4 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 118.978 0.808 . . . . 0.0 112.711 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.39 86.37 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 121.151 -0.968 . . . . 0.0 110.94 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -61.94 -42.16 98.79 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 113.635 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.363 -1.461 . . . . 0.0 114.131 174.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.49 -51.53 59.36 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.664 -1.273 . . . . 0.0 113.174 171.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.39 -42.99 96.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.169 0.988 . . . . 0.0 112.854 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 p -98.83 15.97 23.78 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.025 -1.672 . . . . 0.0 112.081 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tptm 55.96 57.51 5.08 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -111.07 -1.81 16.12 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.105 -1.622 . . . . 0.0 109.813 160.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--N 1.347 0.498 0 O-C-N 120.096 -1.628 . . . . 0.0 109.21 168.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo . . . . . 0 CA--C 1.518 -0.324 0 CA-C-O 119.722 -0.199 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -39.48 85.62 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 124.374 1.069 . . . . 0.0 112.05 172.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 125.215 1.406 . . . . 0.0 112.169 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.93 99.8 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.533 -1.355 . . . . 0.0 113.198 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.1 t -62.27 -48.64 79.04 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.75 -35.29 79.76 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.895 -1.753 . . . . 0.0 113.064 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.08 97.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.655 -1.278 . . . . 0.0 113.337 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.48 83.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.764 -1.21 . . . . 0.0 113.623 169.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -39.72 94.2 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.82 2.81 0.07 Allowed 'General case' 0 C--N 1.347 0.49 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.58 21.09 45.5 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 115.301 -2.944 . . . . 0.0 118.955 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.14 -26.09 13.09 Favored 'Trans proline' 0 CA--C 1.513 -0.562 1 CA-C-N 128.381 6.09 . . . . 0.0 112.529 -158.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -65.49 -44.9 85.61 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.68 1.127 . . . . 0.0 113.294 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -67.46 -40.68 85.37 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.479 -1.388 . . . . 0.0 112.468 172.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -59.52 -42.31 91.96 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.81 -1.181 . . . . 0.0 112.46 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 t -59.32 -43.85 92.65 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 126.143 1.777 . . . . 0.0 113.359 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.66 -50.92 39.48 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.91 -40.9 90.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 112.913 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.9 p -104.29 20.56 18.18 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 120.522 -1.361 . . . . 0.0 111.605 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.27 39.6 tptt 54.68 53.52 10.49 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 168.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -101.38 -6.73 23.68 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 119.657 -1.902 . . . . 0.0 110.283 166.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.24 0.596 0 O-C-N 119.961 -1.712 . . . . 0.0 111.336 178.455 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 122.733 1.254 . . . . 0.0 108.626 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.274 2.7 pt? -60.71 -39.24 64.56 Favored Pre-proline 0 N--CA 1.446 -0.635 0 N-CA-C 118.137 2.643 . . . . 0.0 118.137 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.28 -39.1 5.85 Favored 'Trans proline' 0 C--N 1.347 0.496 1 CA-C-N 128.343 4.015 . . . . 0.0 112.454 -176.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -66.42 -39.94 85.33 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 119.207 0.912 . . . . 0.0 111.975 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.06 -44.7 96.12 Favored 'General case' 0 C--N 1.353 0.757 0 C-N-CA 124.377 1.071 . . . . 0.0 112.413 173.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.86 99.74 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.438 -1.414 . . . . 0.0 113.274 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.9 t -62.96 -44.97 94.59 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 120.88 -1.138 . . . . 0.0 113.794 176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -69.31 -34.93 75.42 Favored 'General case' 0 C--N 1.352 0.69 0 O-C-N 119.911 -1.743 . . . . 0.0 112.877 174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.08 97.9 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.684 -1.26 . . . . 0.0 113.389 172.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.9 97.0 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.07 -43.91 97.25 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.28 3.5 0.08 Allowed 'General case' 0 C--N 1.349 0.545 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.0 18.61 45.84 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-O 115.031 -3.094 . . . . 0.0 119.04 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -73.19 -22.32 19.25 Favored 'Trans proline' 0 CA--C 1.514 -0.478 1 CA-C-N 128.567 6.184 . . . . 0.0 112.051 -161.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.68 -45.1 88.1 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 123.805 0.842 . . . . 0.0 113.12 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -72.28 -39.8 68.08 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.986 171.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -61.08 -42.26 98.16 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.354 -1.466 . . . . 0.0 113.279 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.41 -39.23 93.44 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.419 -1.426 . . . . 0.0 114.619 176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.263 3.5 pp -71.69 -44.15 64.71 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 119.986 -1.696 . . . . 0.0 113.072 175.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.22 -42.75 97.6 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 C-N-CA 124.24 1.016 . . . . 0.0 112.768 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.9 p -95.84 17.38 15.3 Favored 'General case' 0 C--N 1.346 0.449 0 O-C-N 119.943 -1.723 . . . . 0.0 112.137 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.312 38.9 tptt 48.73 58.33 5.4 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 128.427 2.691 . . . . 0.0 115.699 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -119.86 -0.95 10.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 120.318 -1.489 . . . . 0.0 110.676 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.457 -1.402 . . . . 0.0 110.064 166.859 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.973 0.892 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -154.83 12.22 0.0 OUTLIER Pre-proline 0 N--CA 1.447 -0.581 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 -175.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -66.96 -41.23 10.39 Favored 'Trans proline' 0 C--N 1.348 0.545 1 CA-C-N 129.369 4.382 . . . . 0.0 113.11 -173.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.5 pt -64.66 -38.67 83.26 Favored 'Isoleucine or valine' 0 C--N 1.346 0.438 0 C-N-CA 124.122 0.969 . . . . 0.0 112.419 172.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.57 -44.54 93.8 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.307 1.443 . . . . 0.0 112.004 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.34 -43.13 99.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 120.744 -1.223 . . . . 0.0 113.046 173.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.3 -48.31 80.42 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.87 -35.66 80.53 Favored 'General case' 0 C--N 1.354 0.804 0 O-C-N 119.833 -1.792 . . . . 0.0 113.033 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.81 -44.26 97.12 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.774 -1.203 . . . . 0.0 113.442 173.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.71 -44.97 88.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 120.904 -1.122 . . . . 0.0 113.449 171.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.28 -41.05 97.08 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 7.18 0.13 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.32 20.27 35.46 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 115.215 -2.992 . . . . 0.0 118.211 176.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.99 -29.69 14.67 Favored 'Trans proline' 0 CA--C 1.513 -0.528 1 CA-C-N 128.308 6.054 . . . . 0.0 112.786 -157.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -65.51 -43.03 91.34 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.37 -40.08 81.57 Favored 'General case' 0 C--N 1.354 0.777 0 O-C-N 120.662 -1.274 . . . . 0.0 112.267 173.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -61.8 -39.2 90.9 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.611 -1.306 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.7 t -59.94 -43.76 94.77 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.84 1.656 . . . . 0.0 113.158 171.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.6 mt -67.94 -52.25 38.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 120.993 -1.067 . . . . 0.0 113.311 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.24 -41.91 94.52 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 C-N-CA 125.23 1.412 . . . . 0.0 112.796 -175.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.4 p -93.46 8.79 39.2 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.958 -1.714 . . . . 0.0 111.894 -177.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.265 0.6 OUTLIER 78.28 23.44 0.7 Allowed 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.948 1.699 . . . . 0.0 114.419 164.649 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.83 -44.07 70.68 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 119.047 -2.283 . . . . 0.0 111.548 170.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 C--O 1.238 0.485 0 O-C-N 120.564 -1.335 . . . . 0.0 113.525 -172.723 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 122.601 1.191 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.277 2.7 pt? -60.45 -39.69 69.71 Favored Pre-proline 0 N--CA 1.446 -0.634 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.47 -38.02 6.76 Favored 'Trans proline' 0 C--N 1.346 0.441 0 CA-C-N 128.266 3.988 . . . . 0.0 112.441 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.6 pt -67.21 -39.82 83.81 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 CA-C-N 119.143 0.883 . . . . 0.0 111.949 174.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -62.07 -44.64 96.24 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.401 1.08 . . . . 0.0 112.461 173.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.11 -42.17 98.97 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.574 -1.328 . . . . 0.0 113.334 173.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -61.75 -48.06 82.39 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 121.147 -0.971 . . . . 0.0 113.454 175.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.61 -36.31 80.59 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 119.998 -1.689 . . . . 0.0 113.28 174.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.74 -43.89 97.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 120.71 -1.244 . . . . 0.0 113.615 174.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.35 84.23 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 121.006 -1.059 . . . . 0.0 113.66 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -65.74 -40.91 92.61 Favored 'General case' 0 C--N 1.348 0.523 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -156.79 -5.24 0.1 Allowed 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.819 -1.175 . . . . 0.0 114.087 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.09 17.37 58.17 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 114.942 -3.143 . . . . 0.0 119.765 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.74 -27.03 12.98 Favored 'Trans proline' 0 CA--C 1.514 -0.518 1 CA-C-N 128.794 6.297 . . . . 0.0 112.652 -157.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -65.55 -45.85 81.8 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 119.453 1.024 . . . . 0.0 113.382 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -68.29 -38.74 81.95 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.815 -1.178 . . . . 0.0 112.332 173.404 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.23 -40.61 90.81 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 120.556 -1.34 . . . . 0.0 112.941 175.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.0 t -60.34 -41.32 93.35 Favored 'General case' 0 C--N 1.347 0.46 0 O-C-N 120.508 -1.37 . . . . 0.0 113.254 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -66.63 -43.9 83.47 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.672 -1.267 . . . . 0.0 114.081 171.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.86 -48.04 89.96 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 O-C-N 120.158 -1.589 . . . . 0.0 112.413 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.9 p -63.28 -36.76 84.75 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.825 1.25 . . . . 0.0 113.28 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 90.87 22.22 0.03 OUTLIER 'General case' 0 C--N 1.349 0.584 0 C-N-CA 127.786 2.434 . . . . 0.0 112.28 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -18.46 57.85 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.29 -1.506 . . . . 0.0 110.678 169.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m . . . . . 0 N--CA 1.446 -0.656 0 C-N-CA 125.309 1.444 . . . . 0.0 107.658 169.029 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 123.013 1.387 . . . . 0.0 108.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 2' ' ' LEU . 5.6 mp -60.15 -43.0 92.75 Favored Pre-proline 0 N--CA 1.445 -0.681 0 CA-C-O 115.656 -2.116 . . . . 0.0 116.412 -178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -70.95 -38.39 5.25 Favored 'Trans proline' 0 CA--C 1.516 -0.41 0 CA-C-N 126.815 3.47 . . . . 0.0 112.517 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 pt -65.94 -40.83 88.52 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 CA-C-N 119.131 0.878 . . . . 0.0 112.012 174.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.97 -44.7 96.2 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.438 1.095 . . . . 0.0 112.512 173.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.96 99.82 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 120.502 -1.373 . . . . 0.0 113.464 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -62.25 -48.59 79.29 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 123.861 0.865 . . . . 0.0 113.24 175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.6 -36.73 83.33 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.062 -1.649 . . . . 0.0 113.031 175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.18 97.52 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 120.806 -1.184 . . . . 0.0 113.799 173.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.38 93.08 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 120.712 -1.242 . . . . 0.0 113.152 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.2 -41.72 96.95 Favored 'General case' 0 C--N 1.346 0.455 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.29 14.25 0.25 Allowed 'General case' 0 C--N 1.354 0.789 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.27 39.43 2.01 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-O 116.768 -2.129 . . . . 0.0 116.662 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -75.18 -28.98 8.41 Favored 'Trans proline' 0 N--CA 1.459 -0.508 1 CA-C-N 125.824 4.812 . . . . 0.0 111.764 -166.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -67.0 -44.13 81.15 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 119.21 0.914 . . . . 0.0 113.434 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.04 -41.26 91.11 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 119.949 -1.719 . . . . 0.0 111.948 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -62.36 -38.78 90.88 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.561 -1.337 . . . . 0.0 113.617 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.8 p -65.12 -41.57 94.76 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.931 -1.731 . . . . 0.0 113.727 172.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.87 -47.51 77.61 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 120.832 -1.167 . . . . 0.0 113.912 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.91 -41.92 87.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 p -106.69 22.19 16.29 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.121 -1.612 . . . . 0.0 111.928 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 tptm 57.06 49.26 14.06 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 123.556 1.646 . . . . 0.0 114.895 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -103.52 -0.27 30.04 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 119.65 -1.906 . . . . 0.0 110.546 175.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 88.3 m . . . . . 0 C--N 1.348 0.512 0 O-C-N 120.551 -1.343 . . . . 0.0 109.131 168.761 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 122.691 1.234 . . . . 0.0 108.64 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.274 2.7 pt? -60.73 -39.53 66.98 Favored Pre-proline 0 N--CA 1.447 -0.605 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 -178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.6 -38.84 5.49 Favored 'Trans proline' 0 C--N 1.346 0.444 0 CA-C-N 128.282 3.994 . . . . 0.0 112.424 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.4 pt -66.51 -40.08 85.54 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 118.985 0.811 . . . . 0.0 111.849 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.0 -44.84 95.88 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.383 1.073 . . . . 0.0 112.478 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.94 99.86 Favored 'General case' 0 C--N 1.348 0.518 0 O-C-N 120.6 -1.312 . . . . 0.0 113.369 174.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.12 -48.29 80.79 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 121.326 -0.859 . . . . 0.0 113.243 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.83 -35.95 81.24 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 119.95 -1.719 . . . . 0.0 113.077 175.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -44.44 97.27 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.861 -1.149 . . . . 0.0 113.526 174.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.59 -45.22 84.03 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 121.046 -1.034 . . . . 0.0 113.585 171.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.45 -41.12 96.73 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.02 5.9 0.1 Allowed 'General case' 0 C--N 1.351 0.672 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 175.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.26 17.59 53.46 Favored Glycine 0 C--N 1.347 1.186 0 CA-C-O 115.128 -3.04 . . . . 0.0 118.926 178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.64 -21.49 16.67 Favored 'Trans proline' 0 CA--C 1.514 -0.523 1 CA-C-N 128.686 6.243 . . . . 0.0 111.402 -160.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -43.93 97.35 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 123.981 0.912 . . . . 0.0 112.939 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.489 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -74.66 -41.03 61.04 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.923 0.889 . . . . 0.0 112.366 171.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -59.35 -38.71 81.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.134 -1.604 . . . . 0.0 112.744 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.7 t -57.27 -42.05 80.89 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 126.212 1.805 . . . . 0.0 114.557 173.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.25 3.0 pp -77.35 -42.99 34.45 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 120.06 -1.65 . . . . 0.0 112.493 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.5 t -61.65 -41.49 90.54 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 125.03 1.332 . . . . 0.0 112.805 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.8 p -92.66 9.66 33.89 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.06 -1.65 . . . . 0.0 112.035 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.279 48.3 tptt 50.4 61.54 3.15 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 126.271 1.828 . . . . 0.0 114.137 -177.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.0 mmtm -112.66 -9.31 13.74 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 120.17 -1.581 . . . . 0.0 110.269 171.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.241 0.61 0 O-C-N 120.267 -1.521 . . . . 0.0 110.929 172.673 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.9 t80 . . . . . 0 N--CA 1.436 -1.155 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' H ' ' CD ' ' A' ' 3' ' ' PRO . 2.4 pt? -159.85 -1.83 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.549 0 N-CA-C 119.265 3.061 . . . . 0.0 119.265 -171.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' CD ' ' H ' ' A' ' 2' ' ' LEU . 53.3 Cg_endo -69.6 -36.14 11.79 Favored 'Trans proline' 0 C--N 1.347 0.495 1 CA-C-N 130.31 4.718 . . . . 0.0 112.09 -176.307 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 pt -63.83 -39.71 86.41 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 C-N-CA 124.036 0.934 . . . . 0.0 112.341 171.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 tt -63.94 -44.58 92.43 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 125.437 1.495 . . . . 0.0 111.847 176.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.94 99.67 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 120.733 -1.229 . . . . 0.0 113.102 173.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.3 t -62.08 -48.34 80.64 Favored 'General case' 0 C--N 1.35 0.589 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.31 -36.38 81.35 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 119.944 -1.723 . . . . 0.0 113.41 175.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.18 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.703 -1.248 . . . . 0.0 113.636 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.12 77.54 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 169.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -66.33 -41.23 89.94 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -156.49 -2.44 0.12 Allowed 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.801 -1.187 . . . . 0.0 113.763 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.27 18.52 56.39 Favored Glycine 0 C--N 1.348 1.209 0 CA-C-O 114.971 -3.127 . . . . 0.0 119.26 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.45 -26.69 19.99 Favored 'Trans proline' 0 N--CA 1.459 -0.523 1 CA-C-N 128.553 6.177 . . . . 0.0 112.667 -160.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -65.02 -45.05 87.08 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.562 1.074 . . . . 0.0 113.276 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -69.49 -40.44 77.03 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.648 -1.282 . . . . 0.0 112.32 171.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -60.84 -36.31 78.79 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 120.043 -1.66 . . . . 0.0 113.017 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.0 t -60.33 -49.28 78.21 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 120.561 -1.337 . . . . 0.0 113.785 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -71.63 -42.18 67.94 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.881 -1.137 . . . . 0.0 114.057 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.78 -41.79 86.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 p -103.32 20.58 17.49 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 120.093 -1.63 . . . . 0.0 111.761 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.271 35.2 tptt 56.44 49.92 14.03 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 123.69 1.709 . . . . 0.0 114.755 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -98.56 -3.45 36.31 Favored 'General case' 0 C--N 1.347 0.47 0 O-C-N 119.221 -2.174 . . . . 0.0 110.762 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m . . . . . 0 C--O 1.24 0.602 0 O-C-N 120.507 -1.371 . . . . 0.0 110.557 176.314 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.439 -0.994 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 mp 49.33 58.19 17.86 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.02 -32.25 44.64 Favored 'Trans proline' 0 CA--C 1.517 -0.341 0 C-N-CA 123.242 2.628 . . . . 0.0 112.988 -167.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -63.04 -39.84 86.73 Favored 'Isoleucine or valine' 0 C--N 1.345 0.403 0 C-N-CA 124.144 0.978 . . . . 0.0 112.7 173.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.29 -43.64 85.79 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 121.047 -1.033 . . . . 0.0 111.445 174.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.98 98.65 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 120.9 -1.125 . . . . 0.0 113.255 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.45 -48.93 77.46 Favored 'General case' 0 C--N 1.35 0.599 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -66.66 -36.74 83.25 Favored 'General case' 0 C--N 1.355 0.843 0 O-C-N 119.841 -1.787 . . . . 0.0 113.059 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.75 98.42 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.604 1.162 . . . . 0.0 113.482 174.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.85 84.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 120.412 -1.43 . . . . 0.0 113.623 169.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.32 -41.13 96.96 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -154.63 12.05 0.39 Allowed 'General case' 0 C--N 1.351 0.664 0 O-C-N 120.034 -1.666 . . . . 0.0 115.115 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.76 20.11 34.66 Favored Glycine 0 C--N 1.349 1.263 0 CA-C-O 115.483 -2.843 . . . . 0.0 117.479 170.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.03 -27.87 29.43 Favored 'Trans proline' 0 C--N 1.348 0.508 1 CA-C-N 127.505 5.653 . . . . 0.0 113.303 -157.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -63.38 -44.92 93.35 Favored 'General case' 0 C--N 1.346 0.439 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.504 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -72.88 -39.85 66.1 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 121.223 -0.923 . . . . 0.0 112.288 171.454 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -60.19 -40.81 91.33 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.275 -1.516 . . . . 0.0 112.65 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.3 t -59.76 -45.28 92.72 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.087 1.755 . . . . 0.0 114.239 174.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.253 3.5 pp -73.38 -43.53 60.42 Favored 'General case' 0 C--N 1.352 0.708 0 O-C-N 120.707 -1.246 . . . . 0.0 113.336 177.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.2 t -62.4 -42.34 95.22 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 124.496 1.118 . . . . 0.0 112.385 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.6 p -96.13 17.52 15.46 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.281 -1.512 . . . . 0.0 111.755 178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.73 17.89 4.33 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 116.5 2.037 . . . . 0.0 116.5 157.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -81.14 -21.05 40.08 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 118.974 -2.329 . . . . 0.0 112.477 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 70.8 m . . . . . 0 C--O 1.24 0.562 0 O-C-N 120.092 -1.63 . . . . 0.0 111.784 175.889 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 122.55 1.167 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -59.29 -43.39 96.56 Favored Pre-proline 0 N--CA 1.448 -0.56 0 CA-C-O 115.778 -2.058 . . . . 0.0 116.055 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -71.03 -38.23 5.29 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 CA-C-N 126.562 3.379 . . . . 0.0 112.482 -176.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 39.4 pt -66.69 -40.28 85.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 119.241 0.928 . . . . 0.0 112.055 174.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -61.96 -44.86 95.86 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 124.481 1.112 . . . . 0.0 112.466 173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.04 99.77 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.656 -1.277 . . . . 0.0 113.363 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 t -62.3 -48.22 80.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.324 -0.86 . . . . 0.0 113.272 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.51 -37.1 84.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.037 -1.664 . . . . 0.0 113.032 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.55 -44.74 96.49 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 120.791 -1.193 . . . . 0.0 113.497 173.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.16 95.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.694 -1.254 . . . . 0.0 113.255 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -63.94 -41.56 97.58 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -157.35 13.43 0.24 Allowed 'General case' 0 C--N 1.354 0.793 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.78 37.46 2.31 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-O 116.449 -2.306 . . . . 0.0 117.121 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.17 -23.19 10.59 Favored 'Trans proline' 0 CA--C 1.515 -0.468 1 CA-C-N 126.453 5.126 . . . . 0.0 110.824 -167.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -65.7 -44.09 87.2 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.909 0.883 . . . . 0.0 113.216 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.49 -40.38 77.06 Favored 'General case' 0 C--N 1.352 0.681 0 O-C-N 120.517 -1.364 . . . . 0.0 111.914 171.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -61.19 -42.67 99.0 Favored 'General case' 0 C--N 1.349 0.559 0 O-C-N 120.866 -1.146 . . . . 0.0 113.344 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 p -65.04 -32.69 74.53 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.278 -1.514 . . . . 0.0 114.056 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.7 mt -68.72 -49.73 56.5 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 120.478 -1.388 . . . . 0.0 112.645 171.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.47 -41.6 92.49 Favored 'Isoleucine or valine' 0 C--N 1.352 0.708 0 C-N-CA 125.205 1.402 . . . . 0.0 112.84 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -91.75 7.33 42.24 Favored 'General case' 0 CA--C 1.515 -0.397 0 O-C-N 120.078 -1.639 . . . . 0.0 112.091 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.294 47.2 tptt 48.76 60.62 3.57 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 126.764 2.026 . . . . 0.0 114.35 -176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -115.76 -8.62 12.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.517 -1.364 . . . . 0.0 110.337 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.0 m . . . . . 0 C--O 1.242 0.674 0 O-C-N 120.093 -1.629 . . . . 0.0 110.837 167.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 N--CA 1.438 -1.074 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp -152.42 10.03 0.01 OUTLIER Pre-proline 0 C--N 1.348 0.542 0 N-CA-C 118.602 2.815 . . . . 0.0 118.602 -173.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.16 -46.03 1.65 Allowed 'Trans proline' 0 C--N 1.347 0.48 1 CA-C-N 129.331 4.368 . . . . 0.0 113.364 -167.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.6 pt -65.84 -38.68 82.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.46 0 CA-C-N 118.895 0.77 . . . . 0.0 112.455 174.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -62.98 -44.04 97.14 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.517 1.127 . . . . 0.0 112.442 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.65 -43.84 97.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.766 -1.209 . . . . 0.0 112.919 173.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.25 -48.01 81.82 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.4 -39.44 89.02 Favored 'General case' 0 C--N 1.352 0.717 0 O-C-N 119.569 -1.957 . . . . 0.0 113.385 176.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.22 98.88 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.692 1.197 . . . . 0.0 113.911 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.1 97.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.151 -1.593 . . . . 0.0 112.917 171.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -40.29 94.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -151.9 16.36 0.67 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -128.65 41.05 1.62 Allowed Glycine 0 C--N 1.347 1.159 0 CA-C-O 117.168 -1.907 . . . . 0.0 115.127 175.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -67.89 -29.6 34.47 Favored 'Trans proline' 0 N--CA 1.461 -0.436 1 CA-C-N 124.845 4.322 . . . . 0.0 112.732 -169.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 tmtp? -66.68 -44.26 82.27 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 119.258 0.935 . . . . 0.0 113.386 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -67.44 -39.97 85.44 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 120.418 -1.426 . . . . 0.0 111.947 172.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -61.95 -39.68 92.94 Favored 'General case' 0 C--N 1.349 0.561 0 O-C-N 120.224 -1.548 . . . . 0.0 113.221 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 p -66.31 -43.62 85.72 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 120.138 -1.601 . . . . 0.0 114.536 174.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.252 3.2 pp -68.79 -43.07 76.44 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.506 -1.371 . . . . 0.0 114.422 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.7 t -59.97 -42.11 88.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -173.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.2 p -104.24 21.9 15.73 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.001 -1.687 . . . . 0.0 111.235 178.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.262 0.3 OUTLIER 52.14 49.12 21.3 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 126.528 1.931 . . . . 0.0 115.957 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -94.99 -7.85 38.59 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 119.872 -1.767 . . . . 0.0 109.885 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 85.0 m . . . . . 0 C--O 1.24 0.591 0 O-C-N 120.626 -1.296 . . . . 0.0 110.59 167.038 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.444 -0.733 0 CA-C-O 121.656 0.741 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.1 mp 56.07 46.78 2.57 Favored Pre-proline 0 CA--C 1.549 0.934 0 N-CA-C 116.836 2.161 . . . . 0.0 116.836 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -73.03 -39.19 2.36 Favored 'Trans proline' 0 C--N 1.344 0.296 0 CA-C-N 123.805 2.395 . . . . 0.0 112.239 -168.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.3 pt -64.66 -39.1 84.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 C-N-CA 124.067 0.947 . . . . 0.0 112.448 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.52 -43.45 97.13 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.784 1.234 . . . . 0.0 111.994 173.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.41 98.91 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.809 -1.182 . . . . 0.0 113.246 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -62.28 -48.28 80.6 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.25 3.4 pp -66.99 -35.51 80.12 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 119.734 -1.854 . . . . 0.0 113.15 175.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.17 -43.13 99.37 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 120.761 -1.212 . . . . 0.0 113.344 172.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.38 88.36 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 120.515 -1.365 . . . . 0.0 113.506 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -63.81 -40.78 97.45 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -155.53 9.29 0.28 Allowed 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.963 -1.711 . . . . 0.0 115.43 176.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.2 19.18 35.12 Favored Glycine 0 C--N 1.348 1.206 0 CA-C-O 115.182 -3.01 . . . . 0.0 117.836 172.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.15 -20.15 16.85 Favored 'Trans proline' 0 CA--C 1.511 -0.629 1 CA-C-N 128.06 5.93 . . . . 0.0 112.718 -151.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 119.496 1.044 . . . . 0.0 112.644 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.83 -45.35 86.55 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 124.0 0.92 . . . . 0.0 111.402 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -61.12 -40.69 94.72 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.544 -1.348 . . . . 0.0 112.486 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.4 t -60.57 -45.63 93.22 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.769 1.628 . . . . 0.0 114.025 174.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.69 -45.63 43.09 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.323 -1.486 . . . . 0.0 113.683 176.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.58 -42.21 95.31 Favored 'Isoleucine or valine' 0 C--N 1.355 0.813 0 O-C-N 120.994 -1.066 . . . . 0.0 112.883 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 p -94.64 9.11 40.03 Favored 'General case' 0 C--N 1.348 0.536 0 O-C-N 119.926 -1.734 . . . . 0.0 111.925 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.7 tptm 58.32 60.48 2.61 Favored 'General case' 0 C--N 1.349 0.581 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.78 -24.84 15.28 Favored 'General case' 0 C--N 1.348 0.5 0 O-C-N 120.088 -1.632 . . . . 0.0 108.554 159.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 C--N 1.348 0.534 0 O-C-N 120.191 -1.568 . . . . 0.0 111.057 -179.435 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 N--CA 1.445 -0.682 0 CA-C-O 122.365 1.078 . . . . 0.0 109.177 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mp -94.73 -0.44 0.08 OUTLIER Pre-proline 0 N--CA 1.446 -0.651 0 CA-C-O 114.067 -2.873 . . . . 0.0 118.473 -170.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.19 -39.35 4.02 Favored 'Trans proline' 0 C--N 1.349 0.595 1 CA-C-N 130.244 4.694 . . . . 0.0 112.764 -167.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.2 pt -66.14 -39.57 84.75 Favored 'Isoleucine or valine' 0 C--N 1.347 0.471 0 CA-C-N 118.99 0.814 . . . . 0.0 112.299 174.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.59 -44.53 96.07 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 121.109 -0.994 . . . . 0.0 112.268 174.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.61 -44.32 96.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 120.995 -1.066 . . . . 0.0 112.988 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.6 t -62.63 -47.92 81.62 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 121.25 -0.906 . . . . 0.0 113.291 175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.254 3.0 pp -66.06 -39.68 90.28 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 119.672 -1.893 . . . . 0.0 113.297 178.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.54 93.61 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 125.347 1.459 . . . . 0.0 113.927 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.39 98.57 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 119.938 -1.727 . . . . 0.0 112.378 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -36.37 83.71 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 116.125 1.898 . . . . 0.0 116.125 177.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -153.75 11.65 0.43 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 117.29 2.33 . . . . 0.0 117.29 178.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.3 48.26 0.79 Allowed Glycine 0 C--N 1.344 1.023 0 O-C-N 119.509 -1.994 . . . . 0.0 115.34 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.97 -17.5 19.57 Favored 'Trans proline' 0 N--CA 1.46 -0.471 1 CA-C-N 124.467 4.134 . . . . 0.0 111.203 -170.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.5 tmmm? -63.62 -42.8 98.16 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.42 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -68.78 -40.57 79.62 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 120.233 -1.542 . . . . 0.0 112.22 171.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -61.9 -44.25 97.19 Favored 'General case' 0 C--N 1.347 0.494 0 O-C-N 120.516 -1.365 . . . . 0.0 112.903 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 p -65.94 -36.63 83.87 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 3.5 pp -70.12 -43.3 71.29 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 119.981 -1.7 . . . . 0.0 113.237 173.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.39 -41.17 90.71 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.653 1.181 . . . . 0.0 112.678 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.8 p -91.23 10.45 27.11 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 119.946 -1.721 . . . . 0.0 111.631 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.273 26.0 tptp 42.95 57.55 3.6 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 128.753 2.821 . . . . 0.0 114.747 -177.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -13.91 15.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 120.354 -1.466 . . . . 0.0 109.418 173.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 C--O 1.241 0.645 0 O-C-N 120.604 -1.31 . . . . 0.0 111.293 170.45 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.443 -0.784 0 CA-C-O 121.562 0.696 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.6 mt 50.6 55.73 16.81 Favored Pre-proline 0 CA--C 1.538 0.516 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -64.36 -29.11 63.14 Favored 'Trans proline' 0 CA--C 1.518 -0.288 0 C-N-CA 123.247 2.632 . . . . 0.0 112.426 -175.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -61.48 -38.29 79.75 Favored 'Isoleucine or valine' 0 C--N 1.345 0.378 0 C-N-CA 124.863 1.265 . . . . 0.0 112.924 172.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.15 -43.59 86.57 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 120.998 -1.064 . . . . 0.0 111.639 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.55 98.61 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.921 -1.112 . . . . 0.0 112.915 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.2 t -62.33 -47.63 83.38 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 pp -66.55 -37.17 84.4 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 119.831 -1.793 . . . . 0.0 113.065 176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.72 93.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.76 -1.212 . . . . 0.0 113.16 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.35 -43.07 98.74 Favored 'General case' 0 C--N 1.347 0.487 0 O-C-N 121.131 -0.981 . . . . 0.0 113.569 173.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -62.47 -45.83 91.26 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -163.2 12.78 0.06 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -175.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -127.99 40.62 1.71 Allowed Glycine 0 C--N 1.349 1.275 0 CA-C-O 116.786 -2.119 . . . . 0.0 116.723 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.62 -22.16 8.08 Favored 'Trans proline' 0 CA--C 1.513 -0.574 1 CA-C-N 125.956 4.878 . . . . 0.0 111.021 -165.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -63.45 -44.09 95.5 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.499 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.07 -41.92 85.6 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.809 -1.182 . . . . 0.0 112.456 172.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -61.04 -41.59 96.87 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 124.743 1.217 . . . . 0.0 112.444 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.9 m -58.73 -39.93 82.31 Favored 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.464 1.506 . . . . 0.0 114.291 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.9 mt -69.06 -47.44 65.33 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 121.206 -0.934 . . . . 0.0 112.859 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.3 t -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.95 1.3 . . . . 0.0 112.607 -179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 69.5 p -93.51 6.81 46.97 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 120.258 -1.526 . . . . 0.0 111.592 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 51.0 59.38 4.66 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 127.492 2.317 . . . . 0.0 114.024 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.18 -36.14 3.86 Favored 'General case' 0 CA--C 1.515 -0.4 0 O-C-N 120.406 -1.434 . . . . 0.0 112.736 -175.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 CA--C 1.512 -0.5 0 O-C-N 120.769 -1.207 . . . . 0.0 111.262 -175.15 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.444 -0.725 0 CA-C-O 122.792 1.282 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 mp -89.14 -7.05 0.11 Allowed Pre-proline 0 N--CA 1.444 -0.726 0 CA-C-O 113.904 -2.951 . . . . 0.0 118.479 -170.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.08 -34.17 14.01 Favored 'Trans proline' 0 C--N 1.35 0.612 1 CA-C-N 130.481 4.779 . . . . 0.0 112.095 -177.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.2 pt -64.36 -41.49 92.49 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.779 0.832 . . . . 0.0 112.348 172.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.17 -43.34 99.04 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.696 1.199 . . . . 0.0 112.055 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.38 -43.3 99.15 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.737 -1.227 . . . . 0.0 113.252 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.3 t -62.3 -48.95 77.62 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -67.11 -34.59 77.94 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 119.892 -1.755 . . . . 0.0 113.279 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.19 -43.41 95.91 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.613 -1.305 . . . . 0.0 113.552 172.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.69 -44.57 81.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 120.974 -1.079 . . . . 0.0 113.559 169.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.66 -39.75 94.23 Favored 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -175.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.28 2.93 0.06 Allowed 'General case' 0 C--N 1.348 0.52 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 174.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.03 23.16 37.05 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-O 115.348 -2.918 . . . . 0.0 119.015 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -75.77 -19.4 16.31 Favored 'Trans proline' 0 N--CA 1.459 -0.541 1 CA-C-N 128.578 6.189 . . . . 0.0 112.224 -160.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -64.79 -46.82 80.44 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.684 1.129 . . . . 0.0 113.421 177.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -69.08 -40.7 78.29 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 121.109 -0.994 . . . . 0.0 112.038 173.583 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -61.21 -34.91 75.85 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.106 -1.621 . . . . 0.0 113.068 176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.2 t -61.99 -49.56 75.59 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 120.41 -1.431 . . . . 0.0 113.86 171.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -71.88 -43.12 65.94 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 120.484 -1.385 . . . . 0.0 114.35 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.08 -41.15 85.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 124.524 1.13 . . . . 0.0 113.852 -173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 p -96.14 14.79 22.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 119.82 -1.8 . . . . 0.0 112.19 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.274 30.1 tptt 54.86 45.98 25.43 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 124.669 2.176 . . . . 0.0 112.765 -174.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -102.25 -0.01 33.66 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 119.707 -1.871 . . . . 0.0 109.97 -174.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.2 m . . . . . 0 C--O 1.241 0.656 0 O-C-N 120.441 -1.412 . . . . 0.0 109.878 167.493 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 . . . . . 0 N--CA 1.444 -0.76 0 CA-C-O 121.636 0.732 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.7 mt 54.03 48.25 4.56 Favored Pre-proline 0 CA--C 1.543 0.702 0 N-CA-C 117.455 2.391 . . . . 0.0 117.455 175.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.9 -38.78 2.72 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-N 122.963 2.094 . . . . 0.0 112.436 -164.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 pt -66.41 -35.84 75.88 Favored 'Isoleucine or valine' 0 C--N 1.346 0.447 0 CA-C-N 118.831 0.742 . . . . 0.0 112.553 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.05 -43.28 96.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.969 -1.082 . . . . 0.0 111.974 173.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.36 -43.04 99.76 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.85 -1.156 . . . . 0.0 112.923 173.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 t -62.26 -47.88 82.38 Favored 'General case' 0 C--N 1.349 0.569 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 pp -66.92 -34.85 78.68 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 119.81 -1.806 . . . . 0.0 113.137 176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.39 96.41 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.525 -1.359 . . . . 0.0 112.98 171.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.18 94.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.515 -1.366 . . . . 0.0 113.622 170.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.51 -39.95 94.73 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -162.65 -0.56 0.04 OUTLIER 'General case' 0 C--N 1.35 0.601 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 175.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.64 44.62 1.47 Allowed Glycine 0 C--N 1.35 1.343 0 CA-C-O 116.16 -2.467 . . . . 0.0 117.175 178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -82.21 -28.17 2.05 Favored 'Trans proline' 0 CA--C 1.508 -0.786 1 CA-C-N 127.043 5.422 . . . . 0.0 111.765 -158.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -63.8 -41.12 97.98 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 119.467 1.031 . . . . 0.0 113.488 -173.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 pp -63.88 -43.76 95.07 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 120.908 -1.12 . . . . 0.0 113.101 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -63.71 -41.62 98.07 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 120.135 -1.603 . . . . 0.0 112.018 174.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.45 -42.31 99.37 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.561 1.545 . . . . 0.0 114.304 175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.5 pp -71.85 -43.4 65.58 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 120.268 -1.52 . . . . 0.0 114.261 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -62.61 -42.03 94.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.812 0 O-C-N 121.067 -1.021 . . . . 0.0 111.644 178.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.8 p -89.47 34.03 0.82 Allowed 'General case' 0 C--N 1.346 0.418 0 O-C-N 120.064 -1.648 . . . . 0.0 112.616 176.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.8 tptt 69.55 -22.29 0.16 Allowed 'General case' 0 C--N 1.355 0.847 0 C-N-CA 129.208 3.003 . . . . 0.0 117.75 168.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -61.94 -43.26 99.21 Favored 'General case' 0 C--N 1.344 0.361 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 -170.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.241 0.653 0 O-C-N 120.578 -1.327 . . . . 0.0 111.382 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 N--CA 1.439 -1.009 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -154.01 13.06 0.01 OUTLIER Pre-proline 0 C--N 1.348 0.517 0 N-CA-C 118.469 2.766 . . . . 0.0 118.469 -172.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.42 -40.66 13.78 Favored 'Trans proline' 0 C--N 1.347 0.458 1 CA-C-N 129.065 4.273 . . . . 0.0 113.154 -173.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.8 pt -64.49 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 124.193 0.997 . . . . 0.0 112.534 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.69 -44.19 94.41 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 125.259 1.424 . . . . 0.0 111.987 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.36 99.01 Favored 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 120.675 -1.265 . . . . 0.0 112.999 173.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.8 t -62.36 -47.94 81.98 Favored 'General case' 0 C--N 1.35 0.601 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.34 -37.13 84.63 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 119.772 -1.83 . . . . 0.0 113.165 175.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.87 96.99 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.95 -1.094 . . . . 0.0 113.367 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.77 84.79 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 171.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -63.24 -45.12 93.07 Favored 'General case' 0 C--N 1.348 0.538 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.71 3.22 0.03 OUTLIER 'General case' 0 C--N 1.347 0.487 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -174.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.19 23.85 33.07 Favored Glycine 0 C--N 1.348 1.248 0 CA-C-O 115.293 -2.948 . . . . 0.0 118.253 173.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -75.25 -21.63 15.2 Favored 'Trans proline' 0 N--CA 1.46 -0.476 1 CA-C-N 128.512 6.156 . . . . 0.0 112.191 -160.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -65.04 -44.64 88.44 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 119.44 1.018 . . . . 0.0 113.232 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.73 -39.8 84.24 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 120.974 -1.079 . . . . 0.0 112.611 173.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -59.5 -40.44 87.05 Favored 'General case' 0 C--N 1.348 0.507 0 O-C-N 120.612 -1.305 . . . . 0.0 112.372 175.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 t -59.9 -50.67 72.85 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.277 2.6 pt? -73.65 -42.33 61.53 Favored 'General case' 0 C--N 1.353 0.761 0 O-C-N 120.31 -1.494 . . . . 0.0 113.779 178.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.93 -37.92 78.09 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 124.645 1.178 . . . . 0.0 112.727 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 74.1 p -95.29 9.35 40.15 Favored 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.349 -1.47 . . . . 0.0 112.98 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.28 27.0 tptt 53.82 44.31 29.72 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 124.666 2.174 . . . . 0.0 112.995 -177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -98.47 -4.96 33.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 119.676 -1.89 . . . . 0.0 109.73 -177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m . . . . . 0 C--O 1.241 0.639 0 O-C-N 120.464 -1.397 . . . . 0.0 110.417 172.005 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 N--CA 1.438 -1.035 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.22 9.09 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.513 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 -172.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.55 -38.93 13.25 Favored 'Trans proline' 0 C--N 1.35 0.634 1 CA-C-N 129.346 4.374 . . . . 0.0 112.58 -175.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.0 pt -64.18 -39.03 84.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 124.293 1.037 . . . . 0.0 112.489 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.92 -44.44 92.89 Favored 'General case' 0 C--N 1.351 0.671 0 C-N-CA 125.145 1.378 . . . . 0.0 112.151 176.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.59 -43.26 99.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.732 -1.23 . . . . 0.0 112.936 173.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 t -62.23 -48.38 80.23 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.47 -35.6 80.67 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 119.906 -1.747 . . . . 0.0 113.176 176.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.37 -44.77 95.28 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 120.749 -1.22 . . . . 0.0 113.094 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -43.84 87.83 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.855 -1.153 . . . . 0.0 113.665 170.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -38.94 92.36 Favored 'General case' 0 C--N 1.348 0.512 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -176.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.97 -0.6 0.03 OUTLIER 'General case' 0 C--N 1.349 0.58 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 174.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.06 34.9 5.44 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-O 115.609 -2.773 . . . . 0.0 118.502 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -79.61 -21.02 8.94 Favored 'Trans proline' 0 CA--C 1.511 -0.661 1 CA-C-N 128.013 5.907 . . . . 0.0 111.237 -162.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -63.91 -43.27 96.48 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 113.525 0.935 . . . . 0.0 113.525 -176.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -67.52 -41.71 83.94 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 120.975 -1.078 . . . . 0.0 112.596 172.42 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -61.53 -41.77 97.82 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 120.368 -1.458 . . . . 0.0 112.32 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.7 t -60.12 -43.72 95.42 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 126.342 1.857 . . . . 0.0 114.138 176.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.259 3.5 pp -72.26 -43.22 64.63 Favored 'General case' 0 C--N 1.351 0.65 0 O-C-N 120.208 -1.558 . . . . 0.0 113.687 174.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.38 -41.78 93.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 C-N-CA 124.581 1.152 . . . . 0.0 112.832 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.0 p -92.11 11.83 24.13 Favored 'General case' 0 C--N 1.345 0.41 0 O-C-N 120.022 -1.673 . . . . 0.0 111.573 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.252 19.5 tptm 45.4 60.44 3.05 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.126 2.57 . . . . 0.0 114.369 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -12.18 15.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 120.163 -1.586 . . . . 0.0 109.674 173.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.7 m . . . . . 0 C--N 1.348 0.501 0 O-C-N 121.0 -1.063 . . . . 0.0 110.057 174.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 N--CA 1.442 -0.833 0 CA-C-O 123.309 1.528 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -64.05 -34.45 11.93 Favored Pre-proline 0 N--CA 1.445 -0.694 0 N-CA-C 119.46 3.133 . . . . 0.0 119.46 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.71 -37.8 11.57 Favored 'Trans proline' 0 C--N 1.347 0.49 1 CA-C-N 128.912 4.219 . . . . 0.0 113.386 -168.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.1 pt -65.1 -41.51 92.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.504 0 CA-C-N 119.138 0.881 . . . . 0.0 112.026 173.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.83 -44.62 95.67 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 125.261 1.424 . . . . 0.0 111.922 175.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.16 98.73 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 120.55 -1.344 . . . . 0.0 113.239 174.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 t -62.25 -49.87 73.99 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.66 -37.42 84.76 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.064 -1.647 . . . . 0.0 113.14 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.32 94.81 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.454 -1.404 . . . . 0.0 113.612 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.41 83.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 120.416 -1.427 . . . . 0.0 113.611 167.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.3 -39.97 94.98 Favored 'General case' 0 C--N 1.348 0.509 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.7 7.71 0.36 Allowed 'General case' 0 C--N 1.348 0.501 0 N-CA-C 114.598 1.332 . . . . 0.0 114.598 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -107.45 26.35 18.63 Favored Glycine 0 C--N 1.348 1.214 0 CA-C-O 115.449 -2.862 . . . . 0.0 118.389 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.91 -32.58 54.65 Favored 'Trans proline' 0 N--CA 1.462 -0.371 1 CA-C-N 127.466 5.633 . . . . 0.0 114.727 -160.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -65.93 -45.87 80.3 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 119.879 1.218 . . . . 0.0 113.532 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -68.29 -36.91 80.07 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.732 -1.23 . . . . 0.0 112.321 173.683 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.74 -44.68 90.58 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.891 -1.131 . . . . 0.0 111.758 173.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.9 m -61.97 -49.7 75.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 172.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.91 -40.24 91.3 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 -174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.52 -51.24 65.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 O-C-N 120.361 -1.462 . . . . 0.0 111.895 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 p -67.07 -37.79 84.61 Favored 'General case' 0 C--N 1.35 0.587 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 91.01 17.92 0.03 OUTLIER 'General case' 0 C--N 1.352 0.683 0 C-N-CA 128.301 2.64 . . . . 0.0 112.281 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.73 -36.53 84.17 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 120.554 -1.341 . . . . 0.0 114.387 174.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 12.0 p . . . . . 0 CA--C 1.511 -0.553 0 O-C-N 120.879 -1.138 . . . . 0.0 108.888 178.168 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.443 -0.813 0 CA-C-O 121.659 0.742 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.5 mt 51.32 53.94 14.24 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 117.163 2.283 . . . . 0.0 117.163 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.0 -31.12 47.09 Favored 'Trans proline' 0 CA--C 1.518 -0.297 0 C-N-CA 123.195 2.597 . . . . 0.0 112.555 -171.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.4 pt -62.73 -38.93 82.96 Favored 'Isoleucine or valine' 0 C--N 1.345 0.387 0 C-N-CA 124.454 1.102 . . . . 0.0 112.898 173.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 tt -66.7 -43.17 85.11 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.929 -1.107 . . . . 0.0 111.188 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.62 98.5 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 173.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -62.45 -48.0 81.57 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.34 -37.18 84.74 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 119.673 -1.892 . . . . 0.0 113.162 176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.37 97.23 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 120.68 -1.263 . . . . 0.0 113.136 173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.79 94.05 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 121.007 -1.058 . . . . 0.0 113.799 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -62.35 -44.91 95.38 Favored 'General case' 0 C--N 1.348 0.514 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.4 1.57 0.03 OUTLIER 'General case' 0 C--N 1.348 0.53 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.11 19.96 39.25 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-O 114.888 -3.173 . . . . 0.0 118.282 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -65.55 -24.57 55.96 Favored 'Trans proline' 0 CA--C 1.514 -0.482 1 CA-C-N 127.978 5.889 . . . . 0.0 114.762 -151.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.9 mmtt -60.86 -37.58 82.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.87 -42.32 94.94 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 120.695 1.588 . . . . 0.0 112.809 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -62.21 -44.09 97.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.492 -1.38 . . . . 0.0 111.384 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.7 m -60.65 -42.68 97.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 175.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.83 -44.56 55.34 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.989 1.268 . . . . 0.0 113.366 176.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.77 -40.27 88.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.782 0 O-C-N 121.062 -1.024 . . . . 0.0 112.244 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.6 p -96.81 20.69 10.6 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.534 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.2 tptt 68.3 -19.66 0.15 Allowed 'General case' 0 C--N 1.356 0.858 0 N-CA-C 116.567 2.062 . . . . 0.0 116.567 173.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -56.39 -42.15 77.46 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 116.812 2.152 . . . . 0.0 116.812 -169.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.9 p . . . . . 0 C--O 1.241 0.657 0 O-C-N 120.36 -1.463 . . . . 0.0 111.783 -177.05 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.5 t80 . . . . . 0 N--CA 1.436 -1.154 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.405 ' H ' ' CD ' ' A' ' 3' ' ' PRO . 2.4 pt? -159.73 -1.2 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.552 0 N-CA-C 119.314 3.079 . . . . 0.0 119.314 -172.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.405 ' CD ' ' H ' ' A' ' 2' ' ' LEU . 54.7 Cg_endo -69.08 -36.1 13.3 Favored 'Trans proline' 0 C--N 1.348 0.51 1 CA-C-N 130.229 4.689 . . . . 0.0 112.081 -177.114 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.0 pt -63.67 -39.59 85.93 Favored 'Isoleucine or valine' 0 C--N 1.346 0.415 0 C-N-CA 124.055 0.942 . . . . 0.0 112.344 171.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.98 -44.41 92.77 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 125.361 1.464 . . . . 0.0 111.867 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.26 99.23 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 120.801 -1.187 . . . . 0.0 113.09 173.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.4 t -62.26 -48.04 81.69 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 175.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.61 -36.62 83.06 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 119.749 -1.844 . . . . 0.0 113.204 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.57 96.58 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.787 -1.196 . . . . 0.0 113.375 173.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.27 -44.36 88.29 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 172.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -62.65 -44.86 95.2 Favored 'General case' 0 C--N 1.348 0.526 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -164.86 1.88 0.03 OUTLIER 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.965 1.469 . . . . 0.0 114.965 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.6 16.53 58.7 Favored Glycine 0 C--N 1.349 1.258 0 CA-C-O 114.925 -3.153 . . . . 0.0 118.981 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.95 -22.73 12.93 Favored 'Trans proline' 0 CA--C 1.512 -0.592 1 CA-C-N 128.563 6.182 . . . . 0.0 112.28 -155.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -65.19 -42.63 93.4 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 118.978 0.808 . . . . 0.0 112.711 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.39 86.37 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 121.151 -0.968 . . . . 0.0 110.94 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -61.94 -42.16 98.79 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.967 -1.083 . . . . 0.0 113.635 179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 120.363 -1.461 . . . . 0.0 114.131 174.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.1 mt -65.49 -51.53 59.36 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.664 -1.273 . . . . 0.0 113.174 171.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.2 t -64.39 -42.99 96.98 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.169 0.988 . . . . 0.0 112.854 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.2 p -98.83 15.97 23.78 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.025 -1.672 . . . . 0.0 112.081 -176.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.8 tptm 55.96 57.51 5.08 Favored 'General case' 0 C--N 1.349 0.558 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -111.07 -1.81 16.12 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.105 -1.622 . . . . 0.0 109.813 160.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 C--N 1.347 0.498 0 O-C-N 120.096 -1.628 . . . . 0.0 109.21 168.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 N--CA 1.444 -0.752 0 CA-C-O 122.556 1.17 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.5 pt? -95.86 -5.49 0.11 Allowed Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 119.162 3.023 . . . . 0.0 119.162 -176.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -75.09 -39.5 1.16 Allowed 'Trans proline' 0 C--N 1.349 0.571 1 CA-C-N 130.107 4.645 . . . . 0.0 111.773 -171.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -39.48 85.62 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 124.374 1.069 . . . . 0.0 112.05 172.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -62.17 -44.87 95.65 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 125.215 1.406 . . . . 0.0 112.169 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.39 -42.93 99.8 Favored 'General case' 0 C--N 1.347 0.495 0 O-C-N 120.533 -1.355 . . . . 0.0 113.198 173.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.1 t -62.27 -48.64 79.04 Favored 'General case' 0 C--N 1.349 0.555 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -66.75 -35.29 79.76 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 119.895 -1.753 . . . . 0.0 113.064 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.08 97.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.655 -1.278 . . . . 0.0 113.337 172.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.48 83.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 120.764 -1.21 . . . . 0.0 113.623 169.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -39.72 94.2 Favored 'General case' 0 C--N 1.348 0.527 0 N-CA-C 115.596 1.702 . . . . 0.0 115.596 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.82 2.81 0.07 Allowed 'General case' 0 C--N 1.347 0.49 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.58 21.09 45.5 Favored Glycine 0 C--N 1.348 1.218 0 CA-C-O 115.301 -2.944 . . . . 0.0 118.955 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.14 -26.09 13.09 Favored 'Trans proline' 0 CA--C 1.513 -0.562 1 CA-C-N 128.381 6.09 . . . . 0.0 112.529 -158.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tmtp? -65.49 -44.9 85.61 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.68 1.127 . . . . 0.0 113.294 -178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.487 ' H ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -67.46 -40.68 85.37 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 120.479 -1.388 . . . . 0.0 112.468 172.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -59.52 -42.31 91.96 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.81 -1.181 . . . . 0.0 112.46 175.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 t -59.32 -43.85 92.65 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 126.143 1.777 . . . . 0.0 113.359 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.5 mt -69.66 -50.92 39.48 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 175.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.91 -40.9 90.73 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 C-N-CA 124.645 1.178 . . . . 0.0 112.913 -175.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 76.9 p -104.29 20.56 18.18 Favored 'General case' 0 CA--C 1.512 -0.489 0 O-C-N 120.522 -1.361 . . . . 0.0 111.605 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.27 39.6 tptt 54.68 53.52 10.49 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 168.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -101.38 -6.73 23.68 Favored 'General case' 0 C--N 1.347 0.472 0 O-C-N 119.657 -1.902 . . . . 0.0 110.283 166.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.24 0.596 0 O-C-N 119.961 -1.712 . . . . 0.0 111.336 178.455 . . . . . . . . 0 0 . 1 stop_ save_