data_6q08_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 6q08 _Structure_validation_residue.Date_analyzed 2020-07-31 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 full ' A' A ' 1' ' ' ILE . . . . . 0.57 ' H3 ' ' CD1' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -155.89 117.62 3.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.407 ' H ' ' HB2' ' A' ' 6' ' ' LEU . 4.8 m95 -92.09 166.31 12.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 mp -41.37 -41.64 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.985 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -72.47 -46.71 53.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.407 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' HB2' ' H ' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -58.87 -37.75 77.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.174 0.511 . . . . 0.0 109.759 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.47 -38.25 93.27 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.601 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -55.25 -39.83 70.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.031 0.444 . . . . 0.0 110.643 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.51 -35.66 81.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.351 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.599 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.2 mm -77.07 -38.99 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.641 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 HG23 HD12 ' A' ' 11' ' ' ILE . 24.2 mm -68.47 -27.43 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . -80.78 -31.71 35.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.312 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -66.16 67.22 0.05 OUTLIER 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.996 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.788 ' C ' ' H ' ' A' ' 14' ' ' LEU . 3.7 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.205 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -59.3 149.64 28.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 6' ' ' LEU . 71.3 m95 -78.98 130.25 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.593 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -32.08 -44.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.625 0.578 . . . . 0.0 111.04 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.559 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -52.14 -37.18 53.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.651 -179.14 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 3' ' ' TRP . 3.7 mm? -50.45 -46.27 56.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.126 0.489 . . . . 0.0 110.411 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.5 -40.27 11.11 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.49 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.439 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.74 -39.93 95.64 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.185 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -67.66 -25.63 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.169 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.569 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.2 mm -90.43 -39.68 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.787 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mm -63.67 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.92 -31.47 31.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.413 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -94.69 60.22 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.583 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.776 ' C ' ' H ' ' A' ' 14' ' ' LEU . 11.5 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.562 0.22 . . . . 0.0 111.455 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.33 155.57 36.91 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.444 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 77.7 m95 -88.94 139.2 30.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 111.411 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 mp -37.71 -43.95 0.68 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -107.16 -47.19 3.73 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.975 -178.034 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' ' 3' ' ' TRP . 2.6 mt -52.41 -32.59 39.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.725 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.13 -22.47 60.91 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.196 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -39.56 86.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.605 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -46.98 -40.52 14.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.447 0.642 . . . . 0.0 109.967 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.606 ' N ' HD11 ' A' ' 10' ' ' ILE . 1.5 mm -65.86 -37.31 79.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.428 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.6 mt -67.43 -29.23 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . -80.46 -32.97 37.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.525 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -71.2 63.44 0.35 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.275 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.785 ' C ' ' H ' ' A' ' 14' ' ' LEU . 11.1 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.182 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.84 137.31 32.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -92.4 139.84 30.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.233 0.539 . . . . 0.0 111.379 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.408 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -34.02 -43.21 0.14 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.49 -179.045 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.32 -47.08 11.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.155 -178.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' O ' HD11 ' A' ' 10' ' ' ILE . 5.5 mp -56.16 -44.64 79.5 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.623 -0.431 . . . . 0.0 109.886 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.63 -40.67 1.04 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -74.72 -40.47 61.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -70.86 -38.95 73.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.229 179.749 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.1 mp -71.22 -38.24 69.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.417 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -69.1 -29.17 42.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.79 -33.22 25.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.846 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' LYS . 43.2 m -76.61 63.21 2.06 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.33 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.793 ' C ' ' H ' ' A' ' 14' ' ' LEU . 6.9 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.276 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -156.2 122.6 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.653 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . 10.4 m95 -79.56 107.64 12.48 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.148 0.499 . . . . 0.0 110.247 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 1.1 mp -42.3 -44.86 4.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.525 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -47.85 3.69 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.289 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' O ' HD13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -57.16 -40.99 78.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.049 0.452 . . . . 0.0 110.153 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.33 -22.63 5.31 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.764 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -88.85 -39.18 14.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.068 0.434 . . . . 0.0 110.914 -179.447 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -52.48 -38.08 58.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.383 0.611 . . . . 0.0 109.586 179.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.517 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.4 mp -69.74 -37.95 74.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.469 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mm -66.74 -28.88 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.5 -34.36 31.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.738 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' LYS . 13.4 m -73.14 59.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.468 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.781 ' C ' ' H ' ' A' ' 14' ' ' LEU . 5.1 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.436 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -101.86 130.42 48.32 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -98.21 -174.54 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.296 0.569 . . . . 0.0 111.355 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 3.0 mm? -65.52 -43.7 89.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.839 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.707 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -86.35 -37.08 18.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 -177.534 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -47.94 -46.36 32.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.894 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.84 92.63 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.382 -0.437 . . . . 0.0 112.815 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.23 -39.97 70.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.176 0.512 . . . . 0.0 111.008 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -58.45 -33.45 69.73 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.458 -179.655 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.499 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.7 mp -72.57 -36.64 54.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.956 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -60.08 -32.7 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.04 -33.35 22.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.315 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 14' ' ' LEU . 5.1 m -88.47 69.86 8.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.78 ' C ' ' H ' ' A' ' 14' ' ' LEU . 26.0 mt . . . . . 0 C--O 1.235 0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.769 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -77.55 154.3 32.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.439 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -78.76 152.01 31.71 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.227 0.537 . . . . 0.0 110.965 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.1 -41.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.988 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.23 -47.57 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.041 -178.774 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -44.98 67.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.596 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.8 -39.32 55.32 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.27 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -54.5 -39.98 68.08 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.88 -179.021 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.04 -36.29 79.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.538 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.3 mm -75.91 -35.62 30.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.82 -30.36 50.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.3 -35.13 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.097 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.2 m -72.94 63.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.213 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.779 ' C ' ' H ' ' A' ' 14' ' ' LEU . 3.5 mt . . . . . 0 C--O 1.234 0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.821 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -41.51 135.75 2.0 Allowed 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.169 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -87.96 148.74 24.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.805 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.548 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -43.01 -31.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.633 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -86.87 -44.13 11.92 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.453 -179.134 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 22.6 mt -60.91 -38.98 87.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.488 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.76 -35.9 87.98 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.548 ' NZ ' ' O ' ' A' ' 4' ' ' LEU . 14.3 mmtm -58.01 -39.38 78.16 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.123 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' CD ' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.79 -36.73 77.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.541 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.4 mm -72.27 -38.31 61.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.287 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.89 -30.38 49.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . -81.09 -31.96 34.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.014 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.49 ' C ' ' H ' ' A' ' 14' ' ' LEU . 22.3 m -69.95 64.9 0.23 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.609 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.779 ' C ' ' H ' ' A' ' 14' ' ' LEU . 8.1 mt . . . . . 0 C--O 1.233 0.208 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.376 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.549 ' CD1' ' H2 ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -79.03 122.31 26.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 41.7 m95 -79.36 138.86 37.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.224 0.535 . . . . 0.0 111.879 -178.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.514 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 8.0 mp -48.65 -32.03 7.66 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.591 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.725 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -93.69 -47.6 6.72 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.179 -177.25 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 3' ' ' TRP . 8.5 mt -67.17 -38.63 85.75 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.214 -0.594 . . . . 0.0 109.472 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 11' ' ' ILE . . . -45.77 -45.58 13.34 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.335 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -38.59 74.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.845 0.355 . . . . 0.0 110.486 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.473 ' HD2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -77.4 -36.29 53.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.134 179.43 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 HD11 ' O ' ' A' ' 6' ' ' LEU . 1.5 mp -79.45 -38.7 19.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.706 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.488 ' N ' ' O ' ' A' ' 7' ' ' GLY . 8.6 mm -62.83 -27.79 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.38 -31.12 33.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.686 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.591 ' C ' ' H ' ' A' ' 14' ' ' LEU . 4.6 m -95.0 62.49 2.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.065 179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.777 ' C ' ' H ' ' A' ' 14' ' ' LEU . 2.2 mt . . . . . 0 N--CA 1.468 0.473 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.795 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' OD1' ' HA3' ' A' ' 7' ' ' GLY . 1.2 p30 -111.09 144.58 40.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.53 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 9.3 m95 -81.62 139.83 34.78 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.545 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' O ' ' NZ ' ' A' ' 8' ' ' LYS . 4.4 mp -35.81 -37.68 0.11 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.964 -1.016 . . . . 0.0 113.089 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.5 -47.51 4.86 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.888 -177.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.53 ' HB2' ' HB2' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -53.3 -46.19 69.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.866 0.365 . . . . 0.0 111.344 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' HA3' ' OD1' ' A' ' 2' ' ' ASN . . . -57.63 -35.47 73.77 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.199 -0.525 . . . . 0.0 112.296 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 4' ' ' LEU . 1.2 mmtm -58.16 -39.26 78.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.529 -0.395 . . . . 0.0 111.223 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -61.84 -32.44 72.77 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.603 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -78.58 -39.15 22.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.11 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.93 -27.65 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.99 -31.97 34.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.451 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 m -92.55 70.61 4.99 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.227 0.537 . . . . 0.0 109.938 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.791 ' C ' ' H ' ' A' ' 14' ' ' LEU . 1.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.411 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.608 ' H1 ' HD13 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -155.89 117.62 3.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.445 ' H ' ' HB2' ' A' ' 6' ' ' LEU . 4.8 m95 -92.09 166.31 12.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.4 mp -41.37 -41.64 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.985 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.542 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -72.47 -46.71 53.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.407 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.445 ' HB2' ' H ' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -58.87 -37.75 77.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.174 0.511 . . . . 0.0 109.759 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.47 -38.25 93.27 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.601 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -55.25 -39.83 70.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.031 0.444 . . . . 0.0 110.643 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.522 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.51 -35.66 81.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.351 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.837 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.2 mm -77.07 -38.99 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.641 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.2 mm -68.47 -27.43 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . -80.78 -31.71 35.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.312 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -66.16 67.22 0.05 OUTLIER 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.996 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ALA . 3.7 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.205 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 1' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -59.3 149.64 28.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 6' ' ' LEU . 71.3 m95 -78.98 130.25 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.851 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -32.08 -44.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.625 0.578 . . . . 0.0 111.04 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.629 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -52.14 -37.18 53.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.651 -179.14 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HA ' HD13 ' A' ' 6' ' ' LEU . 3.7 mm? -50.45 -46.27 56.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.126 0.489 . . . . 0.0 110.411 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.5 -40.27 11.11 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.49 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.74 -39.93 95.64 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.185 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' C ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.66 -25.63 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.169 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.841 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.2 mm -90.43 -39.68 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.787 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mm -63.67 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.92 -31.47 31.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.413 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -94.69 60.22 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.583 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.562 0.22 . . . . 0.0 111.455 179.041 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.33 155.57 36.91 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 77.7 m95 -88.94 139.2 30.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 111.411 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.678 ' H ' HD12 ' A' ' 4' ' ' LEU . 4.8 mp -37.71 -43.95 0.68 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -107.16 -47.19 3.73 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.975 -178.034 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 3' ' ' TRP . 2.6 mt -52.41 -32.59 39.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.725 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.13 -22.47 60.91 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.196 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -39.56 86.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.605 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -46.98 -40.52 14.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.447 0.642 . . . . 0.0 109.967 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.745 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.5 mm -65.86 -37.31 79.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.428 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.6 mt -67.43 -29.23 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.46 -32.97 37.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.525 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -71.2 63.44 0.35 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.275 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 14' ' ' LEU . 11.1 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.182 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.417 ' H1 ' HG13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.84 137.31 32.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -92.4 139.84 30.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.233 0.539 . . . . 0.0 111.379 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.577 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -34.02 -43.21 0.14 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.49 -179.045 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.32 -47.08 11.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.155 -178.519 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 10' ' ' ILE . 5.5 mp -56.16 -44.64 79.5 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.623 -0.431 . . . . 0.0 109.886 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.63 -40.67 1.04 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 4' ' ' LEU . 11.0 mptt -74.72 -40.47 61.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -70.86 -38.95 73.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.229 179.749 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.1 mp -71.22 -38.24 69.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.417 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -69.1 -29.17 42.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.79 -33.22 25.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.846 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' LYS . 43.2 m -76.61 63.21 2.06 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.33 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.276 178.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -156.2 122.6 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.653 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . 10.4 m95 -79.56 107.64 12.48 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.148 0.499 . . . . 0.0 110.247 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.685 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.1 mp -42.3 -44.86 4.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.525 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -106.45 -47.85 3.69 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.289 -179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -57.16 -40.99 78.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.049 0.452 . . . . 0.0 110.153 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.33 -22.63 5.31 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.764 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -88.85 -39.18 14.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.068 0.434 . . . . 0.0 110.914 -179.447 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -52.48 -38.08 58.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.383 0.611 . . . . 0.0 109.586 179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.4 mp -69.74 -37.95 74.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.469 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mm -66.74 -28.88 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.5 -34.36 31.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.738 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' LYS . 13.4 m -73.14 59.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.468 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.436 -179.683 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -101.86 130.42 48.32 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -98.21 -174.54 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.296 0.569 . . . . 0.0 111.355 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.0 mm? -65.52 -43.7 89.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.839 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.707 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -86.35 -37.08 18.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 -177.534 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -47.94 -46.36 32.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.894 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.84 92.63 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.382 -0.437 . . . . 0.0 112.815 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -55.23 -39.97 70.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.176 0.512 . . . . 0.0 111.008 -178.526 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.45 -33.45 69.73 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.458 -179.655 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.629 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.7 mp -72.57 -36.64 54.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.956 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -60.08 -32.7 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.04 -33.35 22.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.315 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -88.47 69.86 8.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 mt . . . . . 0 C--O 1.235 0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.769 179.42 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -77.55 154.3 32.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.439 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -78.76 152.01 31.71 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.227 0.537 . . . . 0.0 110.965 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -41.1 -41.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.988 -178.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.23 -47.57 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.041 -178.774 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -44.98 67.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.596 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.8 -39.32 55.32 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.27 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -54.5 -39.98 68.08 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.88 -179.021 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.04 -36.29 79.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.538 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.3 mm -75.91 -35.62 30.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.82 -30.36 50.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.3 -35.13 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.097 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 9' ' ' LYS . 7.2 m -72.94 63.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.213 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.234 0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.821 -179.868 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -41.51 135.75 2.0 Allowed 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.169 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -87.96 148.74 24.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.805 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -43.01 -31.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.633 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -86.87 -44.13 11.92 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.453 -179.134 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 22.6 mt -60.91 -38.98 87.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.488 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.76 -35.9 87.98 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 4' ' ' LEU . 14.3 mmtm -58.01 -39.38 78.16 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.123 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.517 ' CD ' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.79 -36.73 77.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.782 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.4 mm -72.27 -38.31 61.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.287 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.89 -30.38 49.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.09 -31.96 34.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.014 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 22.3 m -69.95 64.9 0.23 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.609 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' SER . 8.1 mt . . . . . 0 C--O 1.233 0.208 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.376 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.761 ' H1 ' HD13 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -79.03 122.31 26.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 41.7 m95 -79.36 138.86 37.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.224 0.535 . . . . 0.0 111.879 -178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.671 ' H ' HD12 ' A' ' 4' ' ' LEU . 8.0 mp -48.65 -32.03 7.66 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.591 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.725 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -93.69 -47.6 6.72 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.179 -177.25 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 3' ' ' TRP . 8.5 mt -67.17 -38.63 85.75 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.214 -0.594 . . . . 0.0 109.472 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.77 -45.58 13.34 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.335 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -38.59 74.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.845 0.355 . . . . 0.0 110.486 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -77.4 -36.29 53.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.134 179.43 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.5 mp -79.45 -38.7 19.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.706 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 mm -62.83 -27.79 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.38 -31.12 33.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.686 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -95.0 62.49 2.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.065 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.468 0.473 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.795 179.779 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' OD1' ' HA3' ' A' ' 7' ' ' GLY . 1.2 p30 -111.09 144.58 40.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.572 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 9.3 m95 -81.62 139.83 34.78 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.545 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.726 ' H ' HD12 ' A' ' 4' ' ' LEU . 4.4 mp -35.81 -37.68 0.11 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.964 -1.016 . . . . 0.0 113.089 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.5 -47.51 4.86 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.888 -177.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -53.3 -46.19 69.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.866 0.365 . . . . 0.0 111.344 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' HA3' ' OD1' ' A' ' 2' ' ' ASN . . . -57.63 -35.47 73.77 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.199 -0.525 . . . . 0.0 112.296 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 4' ' ' LEU . 1.2 mmtm -58.16 -39.26 78.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.529 -0.395 . . . . 0.0 111.223 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -61.84 -32.44 72.77 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.845 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -78.58 -39.15 22.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.11 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.93 -27.65 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.99 -31.97 34.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.451 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 m -92.55 70.61 4.99 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.227 0.537 . . . . 0.0 109.938 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.411 -179.675 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.608 ' H1 ' HD13 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -155.89 117.62 3.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.445 ' H ' ' HB2' ' A' ' 6' ' ' LEU . 4.8 m95 -92.09 166.31 12.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.198 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.4 mp -41.37 -41.64 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.985 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.542 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -72.47 -46.71 53.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.407 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.445 ' HB2' ' H ' ' A' ' 3' ' ' TRP . 0.4 OUTLIER -58.87 -37.75 77.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.174 0.511 . . . . 0.0 109.759 179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.47 -38.25 93.27 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.601 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -55.25 -39.83 70.22 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.031 0.444 . . . . 0.0 110.643 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.522 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -63.51 -35.66 81.2 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.351 179.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.837 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.2 mm -77.07 -38.99 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.641 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.2 mm -68.47 -27.43 36.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 14' ' ' LEU . . . -80.78 -31.71 35.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.245 -0.888 . . . . 0.0 109.312 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.0 m -66.16 67.22 0.05 OUTLIER 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.996 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ALA . 3.7 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.205 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 1' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -59.3 149.64 28.26 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 6' ' ' LEU . 71.3 m95 -78.98 130.25 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.851 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -32.08 -44.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.625 0.578 . . . . 0.0 111.04 179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.629 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -52.14 -37.18 53.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.651 -179.14 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.494 ' HA ' HD13 ' A' ' 6' ' ' LEU . 3.7 mm? -50.45 -46.27 56.59 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.126 0.489 . . . . 0.0 110.411 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.5 -40.27 11.11 Favored Glycine 0 CA--C 1.523 0.547 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.49 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -62.74 -39.93 95.64 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.185 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' C ' HD13 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.66 -25.63 65.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.169 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.841 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.2 mm -90.43 -39.68 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.787 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mm -63.67 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.92 -31.47 31.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.413 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -94.69 60.22 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.583 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.562 0.22 . . . . 0.0 111.455 179.041 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.33 155.57 36.91 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 77.7 m95 -88.94 139.2 30.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 111.411 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.678 ' H ' HD12 ' A' ' 4' ' ' LEU . 4.8 mp -37.71 -43.95 0.68 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -107.16 -47.19 3.73 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.975 -178.034 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HB2' ' HB2' ' A' ' 3' ' ' TRP . 2.6 mt -52.41 -32.59 39.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.725 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.13 -22.47 60.91 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.196 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -39.56 86.37 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.605 -178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -46.98 -40.52 14.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.447 0.642 . . . . 0.0 109.967 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.745 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.5 mm -65.86 -37.31 79.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.428 -178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.6 mt -67.43 -29.23 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.46 -32.97 37.07 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.525 178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.5 m -71.2 63.44 0.35 Allowed 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.275 178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 14' ' ' LEU . 11.1 mt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.182 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.417 ' H1 ' HG13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.84 137.31 32.51 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -92.4 139.84 30.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.233 0.539 . . . . 0.0 111.379 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.577 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -34.02 -43.21 0.14 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.49 -179.045 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.32 -47.08 11.1 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.155 -178.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 10' ' ' ILE . 5.5 mp -56.16 -44.64 79.5 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.623 -0.431 . . . . 0.0 109.886 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.63 -40.67 1.04 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 4' ' ' LEU . 11.0 mptt -74.72 -40.47 61.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -70.86 -38.95 73.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.229 179.749 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 1.1 mp -71.22 -38.24 69.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.417 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -69.1 -29.17 42.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.79 -33.22 25.01 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.846 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 9' ' ' LYS . 43.2 m -76.61 63.21 2.06 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.33 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.276 178.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -156.2 122.6 5.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.653 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 6' ' ' LEU . 10.4 m95 -79.56 107.64 12.48 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.148 0.499 . . . . 0.0 110.247 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.685 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.1 mp -42.3 -44.86 4.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.701 -1.136 . . . . 0.0 112.525 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' O ' ' HD2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -106.45 -47.85 3.69 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.289 -179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 3' ' ' TRP . 0.5 OUTLIER -57.16 -40.99 78.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.049 0.452 . . . . 0.0 110.153 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.33 -22.63 5.31 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.764 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -88.85 -39.18 14.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.068 0.434 . . . . 0.0 110.914 -179.447 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.539 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -52.48 -38.08 58.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.383 0.611 . . . . 0.0 109.586 179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.4 mp -69.74 -37.95 74.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.469 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mm -66.74 -28.88 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.5 -34.36 31.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.738 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' LYS . 13.4 m -73.14 59.3 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.468 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.436 -179.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -101.86 130.42 48.32 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -98.21 -174.54 2.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.296 0.569 . . . . 0.0 111.355 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.0 mm? -65.52 -43.7 89.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.839 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.707 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -86.35 -37.08 18.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 -177.534 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -47.94 -46.36 32.05 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.894 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.84 92.63 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 121.382 -0.437 . . . . 0.0 112.815 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -55.23 -39.97 70.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.176 0.512 . . . . 0.0 111.008 -178.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.45 -33.45 69.73 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.458 -179.655 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.629 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.7 mp -72.57 -36.64 54.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.956 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -60.08 -32.7 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.04 -33.35 22.52 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.285 -1.325 . . . . 0.0 110.315 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.1 m -88.47 69.86 8.96 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 -179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 mt . . . . . 0 C--O 1.235 0.334 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.769 179.42 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.5 p30 -77.55 154.3 32.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.439 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -78.76 152.01 31.71 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.227 0.537 . . . . 0.0 110.965 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' CD2' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -41.1 -41.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.316 -0.857 . . . . 0.0 111.988 -178.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.23 -47.57 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.041 -178.774 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.93 -44.98 67.42 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.326 -0.55 . . . . 0.0 109.596 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.8 -39.32 55.32 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.27 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.9 OUTLIER -54.5 -39.98 68.08 Favored 'General case' 0 CA--C 1.515 -0.392 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.88 -179.021 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.487 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -68.04 -36.29 79.66 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.538 179.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.774 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.3 mm -75.91 -35.62 30.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.82 -30.36 50.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.3 -35.13 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.097 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 9' ' ' LYS . 7.2 m -72.94 63.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.213 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.234 0.238 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.821 -179.868 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -41.51 135.75 2.0 Allowed 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.169 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -87.96 148.74 24.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 0.0 110.805 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -43.01 -31.92 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.633 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -86.87 -44.13 11.92 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.453 -179.134 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' HA ' ' CD ' ' A' ' 9' ' ' LYS . 22.6 mt -60.91 -38.98 87.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.488 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.76 -35.9 87.98 Favored Glycine 0 CA--C 1.52 0.355 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.472 ' NZ ' ' O ' ' A' ' 4' ' ' LEU . 14.3 mmtm -58.01 -39.38 78.16 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.525 -0.47 . . . . 0.0 111.123 -178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.517 ' CD ' ' HA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -59.79 -36.73 77.32 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 178.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.782 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.4 mm -72.27 -38.31 61.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.287 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.89 -30.38 49.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.09 -31.96 34.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.014 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 22.3 m -69.95 64.9 0.23 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.609 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 13' ' ' SER . 8.1 mt . . . . . 0 C--O 1.233 0.208 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.376 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.761 ' H1 ' HD13 ' A' ' 1' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -79.03 122.31 26.04 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.455 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 41.7 m95 -79.36 138.86 37.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.224 0.535 . . . . 0.0 111.879 -178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.671 ' H ' HD12 ' A' ' 4' ' ' LEU . 8.0 mp -48.65 -32.03 7.66 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.591 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.725 ' N ' ' CD ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -93.69 -47.6 6.72 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.179 -177.25 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 3' ' ' TRP . 8.5 mt -67.17 -38.63 85.75 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.214 -0.594 . . . . 0.0 109.472 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.77 -45.58 13.34 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.335 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -38.59 74.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.845 0.355 . . . . 0.0 110.486 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -77.4 -36.29 53.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.134 179.43 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 10' ' ' ILE . 1.5 mp -79.45 -38.7 19.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.706 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 mm -62.83 -27.79 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.38 -31.12 33.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.686 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.6 m -95.0 62.49 2.59 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.065 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.468 0.473 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.795 179.779 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.458 ' OD1' ' HA3' ' A' ' 7' ' ' GLY . 1.2 p30 -111.09 144.58 40.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.572 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 9.3 m95 -81.62 139.83 34.78 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.545 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.726 ' H ' HD12 ' A' ' 4' ' ' LEU . 4.4 mp -35.81 -37.68 0.11 Allowed 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 114.964 -1.016 . . . . 0.0 113.089 -178.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.5 -47.51 4.86 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.888 -177.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 3' ' ' TRP . 0.1 OUTLIER -53.3 -46.19 69.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.866 0.365 . . . . 0.0 111.344 -179.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' HA3' ' OD1' ' A' ' 2' ' ' ASN . . . -57.63 -35.47 73.77 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.199 -0.525 . . . . 0.0 112.296 -178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.578 ' NZ ' ' O ' ' A' ' 4' ' ' LEU . 1.2 mmtm -58.16 -39.26 78.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.529 -0.395 . . . . 0.0 111.223 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -61.84 -32.44 72.77 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.845 ' N ' HD13 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -78.58 -39.15 22.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.11 -179.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 mm -70.93 -27.65 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.99 -31.97 34.47 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.451 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.9 m -92.55 70.61 4.99 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.227 0.537 . . . . 0.0 109.938 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.411 -179.675 . . . . . . . . 0 0 . 1 stop_ save_