data_1n0c_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1n0c _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.7 m . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -135.79 157.77 46.03 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.592 1.957 . . . . 0.0 110.162 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -108.5 112.47 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 125.367 1.467 . . . . 0.0 108.898 -172.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -117.2 103.9 10.65 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.859 1.264 . . . . 0.0 110.398 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.32 -71.79 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.847 1.689 . . . . 0.0 112.943 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -137.88 0.58 2.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.863 1.665 . . . . 0.0 114.199 -175.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 167.27 22.57 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 tp -91.94 118.14 30.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 110.865 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.34 136.14 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.932 1.293 . . . . 0.0 108.929 170.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 110.818 176.418 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 m . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 121.054 0.454 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -132.57 -172.8 3.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.055 2.142 . . . . 0.0 110.278 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -121.1 146.94 46.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.087 1.755 . . . . 0.0 111.66 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -132.43 98.79 4.47 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.311 1.844 . . . . 0.0 109.296 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.91 -74.7 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.087 1.327 . . . . 0.0 112.891 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.47 17.33 1.32 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 113.669 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.27 166.24 22.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 0.0 111.887 173.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.5 137.99 40.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.563 2.345 . . . . 0.0 109.644 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -133.73 127.2 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.47 1.508 . . . . 0.0 109.826 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.468 0.436 0 C-N-CA 123.33 0.652 . . . . 0.0 111.355 169.727 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -141.46 173.51 11.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.377 1.871 . . . . 0.0 111.742 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -109.69 134.2 52.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.43 1.492 . . . . 0.0 110.683 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -132.44 117.71 18.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.105 0.962 . . . . 0.0 109.68 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.1 -100.44 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.179 0.895 . . . . 0.0 111.762 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -114.83 6.38 15.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.593 1.157 . . . . 0.0 113.844 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -126.91 147.14 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.931 1.241 . . . . 0.0 113.004 -177.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -87.01 118.38 26.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.48 2.712 . . . . 0.0 109.573 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -117.3 132.5 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.865 1.666 . . . . 0.0 109.814 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 112.581 176.4 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -128.69 157.14 42.18 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.573 1.549 . . . . 0.0 111.064 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -88.06 133.04 34.07 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.539 0.685 . . . . 0.0 110.271 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -132.75 87.65 2.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.055 1.742 . . . . 0.0 108.607 -173.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.89 -93.52 0.08 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.72 1.152 . . . . 0.0 112.798 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -100.04 -5.04 28.66 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -136.71 159.87 40.54 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -169.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 tp -94.53 112.82 24.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.998 2.519 . . . . 0.0 109.43 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.58 114.5 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.468 1.507 . . . . 0.0 109.86 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.3 m . . . . . 0 CA--C 1.536 0.411 0 C-N-CA 124.248 1.019 . . . . 0.0 110.774 169.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--O 1.232 0.142 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -145.5 169.47 18.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.773 1.229 . . . . 0.0 111.055 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -91.22 123.5 34.71 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.185 -0.947 . . . . 0.0 110.227 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.44 112.84 13.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.532 1.533 . . . . 0.0 108.751 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.27 -93.06 0.33 Allowed Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.078 0.847 . . . . 0.0 111.196 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.5 10.48 4.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.026 1.73 . . . . 0.0 111.478 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.22 158.27 44.13 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.136 0.974 . . . . 0.0 113.047 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -78.65 116.11 18.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.112 1.365 . . . . 0.0 108.27 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.9 t -104.32 102.42 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 125.32 1.448 . . . . 0.0 110.361 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 124.737 1.215 . . . . 0.0 110.804 171.389 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -148.27 176.75 9.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.11 1.764 . . . . 0.0 111.066 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -124.7 124.9 43.16 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.828 2.051 . . . . 0.0 109.418 -170.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -137.83 140.44 40.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.709 0.804 . . . . 0.0 111.043 -176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.07 -102.49 0.08 OUTLIER Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.867 0.746 . . . . 0.0 111.291 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -130.61 29.51 4.79 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.437 1.895 . . . . 0.0 111.976 172.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -131.13 146.7 52.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.345 1.858 . . . . 0.0 111.964 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 tt -88.93 127.47 35.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.894 1.677 . . . . 0.0 109.813 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.78 120.76 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.661 1.184 . . . . 0.0 110.976 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 CA--C 1.536 0.407 0 C-N-CA 123.888 0.875 . . . . 0.0 111.71 171.45 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -135.37 179.6 6.23 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.013 1.725 . . . . 0.0 109.792 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.12 126.84 51.71 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.371 1.068 . . . . 0.0 108.947 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -111.92 96.12 5.87 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.32 -119.17 14.77 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 124.543 1.068 . . . . 0.0 111.136 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.96 17.53 6.71 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.57 1.148 . . . . 0.0 112.968 -175.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -131.23 124.66 31.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.178 0.991 . . . . 0.0 112.003 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.23 126.35 30.41 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.94 1.296 . . . . 0.0 111.116 171.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.86 111.97 30.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 126.616 1.966 . . . . 0.0 110.295 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.9 m . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 125.59 1.556 . . . . 0.0 111.975 174.489 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -139.38 167.67 21.55 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.945 1.298 . . . . 0.0 111.147 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -107.97 135.76 48.81 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.017 1.727 . . . . 0.0 110.326 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.33 59.41 0.61 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.807 1.643 . . . . 0.0 109.201 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.53 -87.89 0.21 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -98.38 -9.26 25.56 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.589 1.556 . . . . 0.0 114.998 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.24 156.34 24.49 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.894 1.225 . . . . 0.0 112.49 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -106.8 131.97 53.3 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.311 1.844 . . . . 0.0 109.653 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.3 t -131.99 134.28 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.091 0.956 . . . . 0.0 110.561 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.9 m . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 125.455 1.502 . . . . 0.0 111.336 -179.749 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 CA--C 1.537 0.452 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -145.81 162.06 38.54 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.229 2.211 . . . . 0.0 111.249 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -98.05 124.13 42.4 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.61 1.164 . . . . 0.0 108.037 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -97.71 19.74 13.12 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.911 0.863 . . . . 0.0 111.874 -170.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.32 3.5 84.51 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.477 1.513 . . . . 0.0 114.098 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -149.97 -51.22 0.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.431 1.492 . . . . 0.0 111.867 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 175.51 9.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.042 1.737 . . . . 0.0 110.843 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.12 125.91 32.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.522 1.929 . . . . 0.0 109.554 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.92 147.73 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.594 1.157 . . . . 0.0 108.669 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 CA--C 1.533 0.311 0 C-N-CA 123.659 0.784 . . . . 0.0 109.548 170.568 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -145.47 157.27 44.04 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.895 1.278 . . . . 0.0 111.209 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -88.15 123.36 32.73 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.428 1.091 . . . . 0.0 108.878 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -123.91 96.21 4.86 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.568 1.547 . . . . 0.0 109.94 -169.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.88 -80.43 0.09 OUTLIER Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.123 1.344 . . . . 0.0 111.844 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -143.72 27.27 1.51 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.949 1.7 . . . . 0.0 112.389 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -137.38 146.97 45.12 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.682 1.593 . . . . 0.0 111.27 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -86.88 121.07 28.85 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 169.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.26 137.37 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.133 0.973 . . . . 0.0 109.765 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.534 0.347 0 C-N-CA 124.279 1.032 . . . . 0.0 111.262 174.643 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -149.67 176.44 10.66 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.921 1.288 . . . . 0.0 111.697 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -114.31 123.63 50.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.655 1.582 . . . . 0.0 111.466 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.76 108.17 19.55 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.988 1.715 . . . . 0.0 109.167 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.88 -77.99 0.07 OUTLIER Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.553 1.073 . . . . 0.0 112.539 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -150.17 31.2 0.68 Allowed 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 126.852 2.061 . . . . 0.0 111.066 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -133.26 135.83 45.17 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.327 1.851 . . . . 0.0 111.983 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.0 tp -83.32 129.99 35.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.577 1.151 . . . . 0.0 111.143 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.0 t -122.23 122.34 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.603 1.561 . . . . 0.0 108.454 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.468 0.431 0 C-N-CA 125.036 1.335 . . . . 0.0 110.321 174.408 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.451 0.167 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -126.28 174.96 8.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.34 2.256 . . . . 0.0 110.595 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -124.68 136.6 54.04 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.546 1.938 . . . . 0.0 110.246 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.49 108.13 8.93 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.355 1.462 . . . . 0.0 110.224 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.47 -71.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 C-N-CA 127.972 2.701 . . . . 0.0 114.181 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.37 17.56 1.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.574 1.15 . . . . 0.0 112.068 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -133.44 164.97 25.95 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.093 -1.005 . . . . 0.0 112.561 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -106.28 135.07 48.4 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 110.313 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -140.41 128.69 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.226 1.41 . . . . 0.0 110.293 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.474 0.734 0 O-C-N 120.511 -1.368 . . . . 0.0 113.168 177.352 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.981 0.42 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -136.33 177.83 7.54 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.403 1.481 . . . . 0.0 110.012 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -117.04 120.32 38.01 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.477 1.511 . . . . 0.0 110.177 -171.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -99.9 75.84 1.91 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.555 0.742 . . . . 0.0 109.874 171.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.32 -62.86 1.42 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.584 1.088 . . . . 0.0 113.834 171.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -119.92 -24.13 6.2 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.541 1.536 . . . . 0.0 114.261 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -121.35 156.31 32.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.858 1.208 . . . . 0.0 112.414 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 tp -88.1 123.03 32.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.148 2.179 . . . . 0.0 110.069 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -113.19 112.66 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.555 1.942 . . . . 0.0 108.988 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 125.796 1.639 . . . . 0.0 109.438 -176.428 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -133.3 156.81 46.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.007 1.723 . . . . 0.0 111.483 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -104.13 124.95 50.0 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.673 1.589 . . . . 0.0 109.608 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -111.87 84.7 2.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 109.676 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.01 -69.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 C-N-CA 127.243 2.354 . . . . 0.0 113.376 -176.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.63 10.98 4.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.936 1.694 . . . . 0.0 113.974 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -127.35 149.72 49.92 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.517 1.053 . . . . 0.0 112.39 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tt -94.2 126.48 39.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.391 1.876 . . . . 0.0 109.499 170.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.0 t -125.13 121.81 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.656 1.583 . . . . 0.0 108.741 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 124.028 0.931 . . . . 0.0 111.102 178.773 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 110.491 -0.188 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -135.13 178.17 7.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.547 1.539 . . . . 0.0 112.169 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -111.3 103.07 11.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.387 1.875 . . . . 0.0 109.235 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -102.25 94.05 5.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.207 1.403 . . . . 0.0 109.75 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.04 -68.63 0.08 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.977 1.751 . . . . 0.0 113.708 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.38 8.01 1.56 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.63 1.972 . . . . 0.0 112.577 -171.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -136.52 145.25 44.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.779 1.232 . . . . 0.0 111.867 -173.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -83.14 114.44 21.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.701 1.201 . . . . 0.0 109.221 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -124.0 124.1 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.463 1.505 . . . . 0.0 110.895 -170.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 125.288 1.435 . . . . 0.0 112.188 179.246 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.2 m . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -153.76 161.14 42.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 111.948 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.19 139.56 31.34 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.152 0.981 . . . . 0.0 111.068 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -121.24 96.72 5.2 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.403 1.881 . . . . 0.0 108.539 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.76 -68.1 0.43 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.333 1.444 . . . . 0.0 113.558 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -144.92 5.61 1.15 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.9 2.08 . . . . 0.0 113.672 -170.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -140.32 146.96 39.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.221 0.918 . . . . 0.0 112.346 -174.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -85.61 132.57 34.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.816 2.046 . . . . 0.0 111.422 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -127.39 141.34 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.416 1.886 . . . . 0.0 109.151 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.419 1.087 . . . . 0.0 111.126 177.554 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.7 m . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -133.56 167.58 20.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.746 1.618 . . . . 0.0 111.395 174.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -98.06 142.59 29.58 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.184 0.994 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -131.26 84.41 2.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.816 2.046 . . . . 0.0 108.003 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 -68.08 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 C-N-CA 126.086 1.803 . . . . 0.0 114.341 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.52 6.91 1.9 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.54 1.936 . . . . 0.0 112.977 -175.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -135.07 151.67 50.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.854 1.261 . . . . 0.0 110.695 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 tp -99.92 122.03 42.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.58 1.952 . . . . 0.0 109.518 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.27 139.49 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.388 1.075 . . . . 0.0 109.576 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 124.646 1.178 . . . . 0.0 110.59 178.623 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 m . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -129.22 -175.23 3.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.507 2.323 . . . . 0.0 109.919 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -128.87 151.92 49.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.232 1.413 . . . . 0.0 111.117 -173.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -118.94 17.59 13.34 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.945 1.698 . . . . 0.0 111.759 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.42 3.3 86.88 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 126.342 1.925 . . . . 0.0 115.012 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -149.49 -42.9 0.14 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.559 1.944 . . . . 0.0 111.278 -169.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -141.8 171.88 13.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.617 1.967 . . . . 0.0 111.276 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.34 141.41 28.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.184 2.593 . . . . 0.0 111.221 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.4 t -133.36 123.92 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.876 1.67 . . . . 0.0 111.904 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 123.588 0.755 . . . . 0.0 109.99 169.187 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.8 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -116.26 159.9 21.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.52 1.928 . . . . 0.0 110.778 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -94.79 148.87 21.84 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.835 -0.541 . . . . 0.0 111.682 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -128.2 75.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.264 1.425 . . . . 0.0 109.576 170.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.07 -50.74 0.25 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.521 2.01 . . . . 0.0 116.776 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -133.33 -9.93 2.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.38 1.872 . . . . 0.0 113.533 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -129.42 161.26 30.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.244 1.018 . . . . 0.0 111.615 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -103.13 131.36 50.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.808 2.043 . . . . 0.0 107.271 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.35 128.41 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 124.797 1.239 . . . . 0.0 109.885 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.5 m . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.032 0.933 . . . . 0.0 111.418 175.033 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 120.406 0.145 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -128.02 179.73 5.42 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.9 2.08 . . . . 0.0 111.184 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -119.27 126.1 50.68 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.893 1.277 . . . . 0.0 110.49 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -107.56 87.29 2.47 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.857 1.663 . . . . 0.0 108.598 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.06 -92.83 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.495 1.521 . . . . 0.0 111.231 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.67 6.51 27.83 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.93 1.692 . . . . 0.0 112.815 -175.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -137.34 129.35 29.13 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.091 0.859 . . . . 0.0 112.534 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.59 134.85 40.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.87 1.668 . . . . 0.0 112.457 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.0 t -132.11 119.74 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.291 1.436 . . . . 0.0 110.849 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.534 0.328 0 C-N-CA 125.511 1.524 . . . . 0.0 110.541 174.26 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.015 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.7 m -121.26 141.65 50.69 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.029 0.932 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -135.79 157.77 46.03 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.592 1.957 . . . . 0.0 110.162 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -108.5 112.47 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 125.367 1.467 . . . . 0.0 108.898 -172.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -117.2 103.9 10.65 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.859 1.264 . . . . 0.0 110.398 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.32 -71.79 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.847 1.689 . . . . 0.0 112.943 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -137.88 0.58 2.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.863 1.665 . . . . 0.0 114.199 -175.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 167.27 22.57 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 tp -91.94 118.14 30.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 110.865 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.34 136.14 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.932 1.293 . . . . 0.0 108.929 170.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m -125.22 142.84 51.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 110.818 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 121.14 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 m -122.58 141.06 52.11 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.366 0.666 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -132.57 -172.8 3.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.055 2.142 . . . . 0.0 110.278 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -121.1 146.94 46.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.087 1.755 . . . . 0.0 111.66 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -132.43 98.79 4.47 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.311 1.844 . . . . 0.0 109.296 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.91 -74.7 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.087 1.327 . . . . 0.0 112.891 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.47 17.33 1.32 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 113.669 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.27 166.24 22.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 0.0 111.887 173.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.5 137.99 40.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.563 2.345 . . . . 0.0 109.644 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -133.73 127.2 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.47 1.508 . . . . 0.0 109.826 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.0 m -104.54 146.36 28.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.33 0.652 . . . . 0.0 111.355 169.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 121.199 -0.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.36 138.99 47.94 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.973 0.909 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -141.46 173.51 11.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.377 1.871 . . . . 0.0 111.742 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -109.69 134.2 52.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.43 1.492 . . . . 0.0 110.683 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -132.44 117.71 18.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.105 0.962 . . . . 0.0 109.68 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.1 -100.44 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.179 0.895 . . . . 0.0 111.762 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -114.83 6.38 15.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.593 1.157 . . . . 0.0 113.844 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -126.91 147.14 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.931 1.241 . . . . 0.0 113.004 -177.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -87.01 118.38 26.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.48 2.712 . . . . 0.0 109.573 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -117.3 132.5 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.865 1.666 . . . . 0.0 109.814 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.5 m -117.58 169.03 9.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 112.581 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 O-C-N 121.133 -0.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.3 m -132.38 152.79 51.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.554 0.742 . . . . 0.0 112.131 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -128.69 157.14 42.18 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.573 1.549 . . . . 0.0 111.064 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -88.06 133.04 34.07 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.539 0.685 . . . . 0.0 110.271 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -132.75 87.65 2.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.055 1.742 . . . . 0.0 108.607 -173.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.89 -93.52 0.08 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.72 1.152 . . . . 0.0 112.798 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -100.04 -5.04 28.66 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -136.71 159.87 40.54 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -169.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 tp -94.53 112.82 24.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.998 2.519 . . . . 0.0 109.43 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.58 114.5 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.468 1.507 . . . . 0.0 109.86 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.3 m -99.34 146.0 26.74 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.248 1.019 . . . . 0.0 110.774 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 121.006 -1.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -124.75 140.2 53.15 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.624 1.17 . . . . 0.0 111.581 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -145.5 169.47 18.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.773 1.229 . . . . 0.0 111.055 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -91.22 123.5 34.71 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.185 -0.947 . . . . 0.0 110.227 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.44 112.84 13.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.532 1.533 . . . . 0.0 108.751 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.27 -93.06 0.33 Allowed Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.078 0.847 . . . . 0.0 111.196 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.5 10.48 4.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.026 1.73 . . . . 0.0 111.478 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.22 158.27 44.13 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.136 0.974 . . . . 0.0 113.047 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -78.65 116.11 18.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.112 1.365 . . . . 0.0 108.27 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.9 t -104.32 102.42 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 125.32 1.448 . . . . 0.0 110.361 -177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m -100.07 124.18 45.16 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.737 1.215 . . . . 0.0 110.804 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 120.795 -1.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.0 m -129.72 158.16 40.15 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.695 0.798 . . . . 0.0 112.799 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -148.27 176.75 9.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.11 1.764 . . . . 0.0 111.066 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -124.7 124.9 43.16 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.828 2.051 . . . . 0.0 109.418 -170.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -137.83 140.44 40.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.709 0.804 . . . . 0.0 111.043 -176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.07 -102.49 0.08 OUTLIER Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.867 0.746 . . . . 0.0 111.291 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -130.61 29.51 4.79 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.437 1.895 . . . . 0.0 111.976 172.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -131.13 146.7 52.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.345 1.858 . . . . 0.0 111.964 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 tt -88.93 127.47 35.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.894 1.677 . . . . 0.0 109.813 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.78 120.76 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.661 1.184 . . . . 0.0 110.976 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 73.0 m -102.03 147.51 26.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.888 0.875 . . . . 0.0 111.71 171.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 O-C-N 121.189 -0.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.697 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 m -134.13 146.85 50.61 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.299 1.04 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -135.37 179.6 6.23 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.013 1.725 . . . . 0.0 109.792 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.12 126.84 51.71 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.371 1.068 . . . . 0.0 108.947 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -111.92 96.12 5.87 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.32 -119.17 14.77 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 124.543 1.068 . . . . 0.0 111.136 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.96 17.53 6.71 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.57 1.148 . . . . 0.0 112.968 -175.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -131.23 124.66 31.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.178 0.991 . . . . 0.0 112.003 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.23 126.35 30.41 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.94 1.296 . . . . 0.0 111.116 171.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.86 111.97 30.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 126.616 1.966 . . . . 0.0 110.295 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.9 m -97.79 166.53 11.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.59 1.556 . . . . 0.0 111.975 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 O-C-N 121.066 -1.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.9 m -131.96 156.31 46.41 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.837 0.855 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -139.38 167.67 21.55 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.945 1.298 . . . . 0.0 111.147 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -107.97 135.76 48.81 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.017 1.727 . . . . 0.0 110.326 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.33 59.41 0.61 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.807 1.643 . . . . 0.0 109.201 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.53 -87.89 0.21 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -98.38 -9.26 25.56 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.589 1.556 . . . . 0.0 114.998 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.24 156.34 24.49 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.894 1.225 . . . . 0.0 112.49 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -106.8 131.97 53.3 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.311 1.844 . . . . 0.0 109.653 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.3 t -131.99 134.28 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.091 0.956 . . . . 0.0 110.561 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.9 m -123.7 161.09 25.82 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.455 1.502 . . . . 0.0 111.336 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 O-C-N 121.111 -0.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m -123.42 148.91 45.66 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.743 0.817 . . . . 0.0 112.551 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -145.81 162.06 38.54 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.229 2.211 . . . . 0.0 111.249 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -98.05 124.13 42.4 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.61 1.164 . . . . 0.0 108.037 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -97.71 19.74 13.12 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.911 0.863 . . . . 0.0 111.874 -170.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.32 3.5 84.51 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.477 1.513 . . . . 0.0 114.098 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -149.97 -51.22 0.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.431 1.492 . . . . 0.0 111.867 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 175.51 9.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.042 1.737 . . . . 0.0 110.843 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.12 125.91 32.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.522 1.929 . . . . 0.0 109.554 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.92 147.73 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.594 1.157 . . . . 0.0 108.669 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 m -126.15 157.65 37.57 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.659 0.784 . . . . 0.0 109.548 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 O-C-N 121.112 -0.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.4 m -133.88 149.09 51.32 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.824 0.85 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -145.47 157.27 44.04 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.895 1.278 . . . . 0.0 111.209 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -88.15 123.36 32.73 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.428 1.091 . . . . 0.0 108.878 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -123.91 96.21 4.86 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.568 1.547 . . . . 0.0 109.94 -169.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.88 -80.43 0.09 OUTLIER Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.123 1.344 . . . . 0.0 111.844 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -143.72 27.27 1.51 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.949 1.7 . . . . 0.0 112.389 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -137.38 146.97 45.12 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.682 1.593 . . . . 0.0 111.27 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -86.88 121.07 28.85 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 169.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.26 137.37 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.133 0.973 . . . . 0.0 109.765 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.3 m -121.05 157.38 30.15 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.279 1.032 . . . . 0.0 111.262 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 121.417 -0.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m -122.94 143.37 49.95 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.484 1.114 . . . . 0.0 111.812 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -149.67 176.44 10.66 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.921 1.288 . . . . 0.0 111.697 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -114.31 123.63 50.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.655 1.582 . . . . 0.0 111.466 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.76 108.17 19.55 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.988 1.715 . . . . 0.0 109.167 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.88 -77.99 0.07 OUTLIER Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.553 1.073 . . . . 0.0 112.539 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -150.17 31.2 0.68 Allowed 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 126.852 2.061 . . . . 0.0 111.066 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -133.26 135.83 45.17 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.327 1.851 . . . . 0.0 111.983 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.0 tp -83.32 129.99 35.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.577 1.151 . . . . 0.0 111.143 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.0 t -122.23 122.34 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.603 1.561 . . . . 0.0 108.454 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m -112.51 118.55 35.43 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.036 1.335 . . . . 0.0 110.321 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.214 -0.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 56.4 m -115.19 146.99 40.86 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.376 0.671 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -126.28 174.96 8.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.34 2.256 . . . . 0.0 110.595 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -124.68 136.6 54.04 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.546 1.938 . . . . 0.0 110.246 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.49 108.13 8.93 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.355 1.462 . . . . 0.0 110.224 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.47 -71.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 C-N-CA 127.972 2.701 . . . . 0.0 114.181 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.37 17.56 1.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.574 1.15 . . . . 0.0 112.068 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -133.44 164.97 25.95 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.093 -1.005 . . . . 0.0 112.561 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -106.28 135.07 48.4 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 110.313 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -140.41 128.69 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.226 1.41 . . . . 0.0 110.293 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 10.3 m -110.5 141.68 43.3 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.511 -1.368 . . . . 0.0 113.168 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 O-C-N 121.589 -0.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.8 m -131.94 146.33 52.03 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.225 0.61 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -136.33 177.83 7.54 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.403 1.481 . . . . 0.0 110.012 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -117.04 120.32 38.01 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.477 1.511 . . . . 0.0 110.177 -171.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -99.9 75.84 1.91 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.555 0.742 . . . . 0.0 109.874 171.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.32 -62.86 1.42 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.584 1.088 . . . . 0.0 113.834 171.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -119.92 -24.13 6.2 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.541 1.536 . . . . 0.0 114.261 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -121.35 156.31 32.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.858 1.208 . . . . 0.0 112.414 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 tp -88.1 123.03 32.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.148 2.179 . . . . 0.0 110.069 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -113.19 112.66 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.555 1.942 . . . . 0.0 108.988 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -111.37 101.14 9.62 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.796 1.639 . . . . 0.0 109.438 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 O-C-N 121.418 -0.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.36 124.41 47.67 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.58 0.752 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -133.3 156.81 46.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.007 1.723 . . . . 0.0 111.483 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -104.13 124.95 50.0 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.673 1.589 . . . . 0.0 109.608 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -111.87 84.7 2.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 109.676 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.01 -69.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 C-N-CA 127.243 2.354 . . . . 0.0 113.376 -176.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.63 10.98 4.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.936 1.694 . . . . 0.0 113.974 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -127.35 149.72 49.92 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.517 1.053 . . . . 0.0 112.39 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tt -94.2 126.48 39.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.391 1.876 . . . . 0.0 109.499 170.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.0 t -125.13 121.81 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.656 1.583 . . . . 0.0 108.741 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m -116.15 121.97 43.69 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.028 0.931 . . . . 0.0 111.102 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 121.517 -0.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.5 m -140.84 147.39 38.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.445 0.698 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -135.13 178.17 7.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.547 1.539 . . . . 0.0 112.169 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -111.3 103.07 11.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.387 1.875 . . . . 0.0 109.235 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -102.25 94.05 5.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.207 1.403 . . . . 0.0 109.75 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.04 -68.63 0.08 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.977 1.751 . . . . 0.0 113.708 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.38 8.01 1.56 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.63 1.972 . . . . 0.0 112.577 -171.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -136.52 145.25 44.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.779 1.232 . . . . 0.0 111.867 -173.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -83.14 114.44 21.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.701 1.201 . . . . 0.0 109.221 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -124.0 124.1 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.463 1.505 . . . . 0.0 110.895 -170.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m -105.24 177.74 4.76 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.288 1.435 . . . . 0.0 112.188 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 O-C-N 120.637 -1.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.2 m -125.93 153.73 43.82 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.006 0.922 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -153.76 161.14 42.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 111.948 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.19 139.56 31.34 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.152 0.981 . . . . 0.0 111.068 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -121.24 96.72 5.2 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.403 1.881 . . . . 0.0 108.539 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.76 -68.1 0.43 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.333 1.444 . . . . 0.0 113.558 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -144.92 5.61 1.15 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.9 2.08 . . . . 0.0 113.672 -170.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -140.32 146.96 39.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.221 0.918 . . . . 0.0 112.346 -174.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -85.61 132.57 34.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.816 2.046 . . . . 0.0 111.422 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -127.39 141.34 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.416 1.886 . . . . 0.0 109.151 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -126.02 154.63 42.69 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.419 1.087 . . . . 0.0 111.126 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 121.27 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.7 m -131.08 146.69 52.46 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.84 0.713 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -133.56 167.58 20.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.746 1.618 . . . . 0.0 111.395 174.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -98.06 142.59 29.58 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.184 0.994 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -131.26 84.41 2.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.816 2.046 . . . . 0.0 108.003 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 -68.08 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 C-N-CA 126.086 1.803 . . . . 0.0 114.341 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.52 6.91 1.9 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.54 1.936 . . . . 0.0 112.977 -175.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -135.07 151.67 50.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.854 1.261 . . . . 0.0 110.695 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 tp -99.92 122.03 42.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.58 1.952 . . . . 0.0 109.518 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.27 139.49 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.388 1.075 . . . . 0.0 109.576 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m -120.59 147.53 45.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.646 1.178 . . . . 0.0 110.59 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 O-C-N 121.485 -0.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 m -129.32 127.53 41.29 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.608 0.763 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -129.22 -175.23 3.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.507 2.323 . . . . 0.0 109.919 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -128.87 151.92 49.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.232 1.413 . . . . 0.0 111.117 -173.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -118.94 17.59 13.34 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.945 1.698 . . . . 0.0 111.759 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.42 3.3 86.88 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 126.342 1.925 . . . . 0.0 115.012 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -149.49 -42.9 0.14 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.559 1.944 . . . . 0.0 111.278 -169.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -141.8 171.88 13.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.617 1.967 . . . . 0.0 111.276 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.34 141.41 28.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.184 2.593 . . . . 0.0 111.221 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.4 t -133.36 123.92 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.876 1.67 . . . . 0.0 111.904 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.7 m -100.52 120.57 40.21 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.588 0.755 . . . . 0.0 109.99 169.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 O-C-N 121.045 -1.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 37.8 m -126.79 124.75 40.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.063 0.945 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -116.26 159.9 21.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.52 1.928 . . . . 0.0 110.778 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -94.79 148.87 21.84 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.835 -0.541 . . . . 0.0 111.682 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -128.2 75.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.264 1.425 . . . . 0.0 109.576 170.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.07 -50.74 0.25 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.521 2.01 . . . . 0.0 116.776 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -133.33 -9.93 2.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.38 1.872 . . . . 0.0 113.533 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -129.42 161.26 30.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.244 1.018 . . . . 0.0 111.615 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -103.13 131.36 50.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.808 2.043 . . . . 0.0 107.271 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.35 128.41 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 124.797 1.239 . . . . 0.0 109.885 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 78.5 m -98.76 146.52 25.83 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.032 0.933 . . . . 0.0 111.418 175.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 121.565 -0.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 m -123.41 135.4 54.1 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.011 0.924 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -128.02 179.73 5.42 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.9 2.08 . . . . 0.0 111.184 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -119.27 126.1 50.68 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.893 1.277 . . . . 0.0 110.49 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -107.56 87.29 2.47 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.857 1.663 . . . . 0.0 108.598 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.06 -92.83 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.495 1.521 . . . . 0.0 111.231 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.67 6.51 27.83 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.93 1.692 . . . . 0.0 112.815 -175.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -137.34 129.35 29.13 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.091 0.859 . . . . 0.0 112.534 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.59 134.85 40.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.87 1.668 . . . . 0.0 112.457 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.0 t -132.11 119.74 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.291 1.436 . . . . 0.0 110.849 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m -107.18 140.7 39.64 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.511 1.524 . . . . 0.0 110.541 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 121.358 -0.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.7 m . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -135.79 157.77 46.03 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.592 1.957 . . . . 0.0 110.162 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -108.5 112.47 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 125.367 1.467 . . . . 0.0 108.898 -172.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -117.2 103.9 10.65 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.859 1.264 . . . . 0.0 110.398 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.32 -71.79 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.847 1.689 . . . . 0.0 112.943 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -137.88 0.58 2.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.863 1.665 . . . . 0.0 114.199 -175.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 167.27 22.57 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 tp -91.94 118.14 30.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 110.865 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.34 136.14 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.932 1.293 . . . . 0.0 108.929 170.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 110.818 176.418 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 m . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 121.054 0.454 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -132.57 -172.8 3.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.055 2.142 . . . . 0.0 110.278 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -121.1 146.94 46.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.087 1.755 . . . . 0.0 111.66 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -132.43 98.79 4.47 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.311 1.844 . . . . 0.0 109.296 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.91 -74.7 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.087 1.327 . . . . 0.0 112.891 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.47 17.33 1.32 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 113.669 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.27 166.24 22.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 0.0 111.887 173.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.5 137.99 40.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.563 2.345 . . . . 0.0 109.644 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -133.73 127.2 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.47 1.508 . . . . 0.0 109.826 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.468 0.436 0 C-N-CA 123.33 0.652 . . . . 0.0 111.355 169.727 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -141.46 173.51 11.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.377 1.871 . . . . 0.0 111.742 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -109.69 134.2 52.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.43 1.492 . . . . 0.0 110.683 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -132.44 117.71 18.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.105 0.962 . . . . 0.0 109.68 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.1 -100.44 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.179 0.895 . . . . 0.0 111.762 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -114.83 6.38 15.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.593 1.157 . . . . 0.0 113.844 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -126.91 147.14 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.931 1.241 . . . . 0.0 113.004 -177.502 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -87.01 118.38 26.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.48 2.712 . . . . 0.0 109.573 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -117.3 132.5 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.865 1.666 . . . . 0.0 109.814 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 112.581 176.4 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -128.69 157.14 42.18 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.573 1.549 . . . . 0.0 111.064 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -88.06 133.04 34.07 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.539 0.685 . . . . 0.0 110.271 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -132.75 87.65 2.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.055 1.742 . . . . 0.0 108.607 -173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.89 -93.52 0.08 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.72 1.152 . . . . 0.0 112.798 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -100.04 -5.04 28.66 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -136.71 159.87 40.54 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -169.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 tp -94.53 112.82 24.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.998 2.519 . . . . 0.0 109.43 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.58 114.5 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.468 1.507 . . . . 0.0 109.86 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.3 m . . . . . 0 CA--C 1.536 0.411 0 C-N-CA 124.248 1.019 . . . . 0.0 110.774 169.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--O 1.232 0.142 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -145.5 169.47 18.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.773 1.229 . . . . 0.0 111.055 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -91.22 123.5 34.71 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.185 -0.947 . . . . 0.0 110.227 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HB3' HG21 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -130.44 112.84 13.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.532 1.533 . . . . 0.0 108.751 -174.553 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.27 -93.06 0.33 Allowed Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.078 0.847 . . . . 0.0 111.196 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.5 10.48 4.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.026 1.73 . . . . 0.0 111.478 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.22 158.27 44.13 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.136 0.974 . . . . 0.0 113.047 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -78.65 116.11 18.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.112 1.365 . . . . 0.0 108.27 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 5' ' ' GLU . 68.9 t -104.32 102.42 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 125.32 1.448 . . . . 0.0 110.361 -177.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 124.737 1.215 . . . . 0.0 110.804 171.389 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 20.0 m . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -148.27 176.75 9.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.11 1.764 . . . . 0.0 111.066 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -124.7 124.9 43.16 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.828 2.051 . . . . 0.0 109.418 -170.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -137.83 140.44 40.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.709 0.804 . . . . 0.0 111.043 -176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.07 -102.49 0.08 OUTLIER Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.867 0.746 . . . . 0.0 111.291 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -130.61 29.51 4.79 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.437 1.895 . . . . 0.0 111.976 172.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -131.13 146.7 52.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.345 1.858 . . . . 0.0 111.964 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 tt -88.93 127.47 35.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.894 1.677 . . . . 0.0 109.813 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.78 120.76 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.661 1.184 . . . . 0.0 110.976 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.0 m . . . . . 0 CA--C 1.536 0.407 0 C-N-CA 123.888 0.875 . . . . 0.0 111.71 171.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -135.37 179.6 6.23 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.013 1.725 . . . . 0.0 109.792 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.12 126.84 51.71 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.371 1.068 . . . . 0.0 108.947 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -111.92 96.12 5.87 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.32 -119.17 14.77 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 124.543 1.068 . . . . 0.0 111.136 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.96 17.53 6.71 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.57 1.148 . . . . 0.0 112.968 -175.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -131.23 124.66 31.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.178 0.991 . . . . 0.0 112.003 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.23 126.35 30.41 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.94 1.296 . . . . 0.0 111.116 171.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.86 111.97 30.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 126.616 1.966 . . . . 0.0 110.295 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.9 m . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 125.59 1.556 . . . . 0.0 111.975 174.489 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -139.38 167.67 21.55 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.945 1.298 . . . . 0.0 111.147 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -107.97 135.76 48.81 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.017 1.727 . . . . 0.0 110.326 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.33 59.41 0.61 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.807 1.643 . . . . 0.0 109.201 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.53 -87.89 0.21 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -98.38 -9.26 25.56 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.589 1.556 . . . . 0.0 114.998 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.24 156.34 24.49 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.894 1.225 . . . . 0.0 112.49 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -106.8 131.97 53.3 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.311 1.844 . . . . 0.0 109.653 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.3 t -131.99 134.28 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.091 0.956 . . . . 0.0 110.561 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.9 m . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 125.455 1.502 . . . . 0.0 111.336 -179.749 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 CA--C 1.537 0.452 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -145.81 162.06 38.54 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.229 2.211 . . . . 0.0 111.249 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -98.05 124.13 42.4 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.61 1.164 . . . . 0.0 108.037 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -97.71 19.74 13.12 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.911 0.863 . . . . 0.0 111.874 -170.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.32 3.5 84.51 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.477 1.513 . . . . 0.0 114.098 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -149.97 -51.22 0.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.431 1.492 . . . . 0.0 111.867 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 175.51 9.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.042 1.737 . . . . 0.0 110.843 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.12 125.91 32.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.522 1.929 . . . . 0.0 109.554 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.92 147.73 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.594 1.157 . . . . 0.0 108.669 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 CA--C 1.533 0.311 0 C-N-CA 123.659 0.784 . . . . 0.0 109.548 170.568 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -145.47 157.27 44.04 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.895 1.278 . . . . 0.0 111.209 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -88.15 123.36 32.73 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.428 1.091 . . . . 0.0 108.878 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -123.91 96.21 4.86 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.568 1.547 . . . . 0.0 109.94 -169.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.88 -80.43 0.09 OUTLIER Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.123 1.344 . . . . 0.0 111.844 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -143.72 27.27 1.51 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.949 1.7 . . . . 0.0 112.389 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -137.38 146.97 45.12 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.682 1.593 . . . . 0.0 111.27 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -86.88 121.07 28.85 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 169.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.26 137.37 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.133 0.973 . . . . 0.0 109.765 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.534 0.347 0 C-N-CA 124.279 1.032 . . . . 0.0 111.262 174.643 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -149.67 176.44 10.66 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.921 1.288 . . . . 0.0 111.697 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -114.31 123.63 50.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.655 1.582 . . . . 0.0 111.466 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.76 108.17 19.55 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.988 1.715 . . . . 0.0 109.167 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.88 -77.99 0.07 OUTLIER Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.553 1.073 . . . . 0.0 112.539 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -150.17 31.2 0.68 Allowed 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 126.852 2.061 . . . . 0.0 111.066 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -133.26 135.83 45.17 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.327 1.851 . . . . 0.0 111.983 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.0 tp -83.32 129.99 35.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.577 1.151 . . . . 0.0 111.143 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.0 t -122.23 122.34 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.603 1.561 . . . . 0.0 108.454 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.468 0.431 0 C-N-CA 125.036 1.335 . . . . 0.0 110.321 174.408 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 56.4 m . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.451 0.167 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -126.28 174.96 8.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.34 2.256 . . . . 0.0 110.595 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -124.68 136.6 54.04 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.546 1.938 . . . . 0.0 110.246 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.49 108.13 8.93 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.355 1.462 . . . . 0.0 110.224 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.47 -71.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 C-N-CA 127.972 2.701 . . . . 0.0 114.181 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.37 17.56 1.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.574 1.15 . . . . 0.0 112.068 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -133.44 164.97 25.95 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.093 -1.005 . . . . 0.0 112.561 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -106.28 135.07 48.4 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 110.313 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -140.41 128.69 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.226 1.41 . . . . 0.0 110.293 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 10.3 m . . . . . 0 N--CA 1.474 0.734 0 O-C-N 120.511 -1.368 . . . . 0.0 113.168 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.981 0.42 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -136.33 177.83 7.54 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.403 1.481 . . . . 0.0 110.012 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -117.04 120.32 38.01 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.477 1.511 . . . . 0.0 110.177 -171.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -99.9 75.84 1.91 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.555 0.742 . . . . 0.0 109.874 171.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.32 -62.86 1.42 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.584 1.088 . . . . 0.0 113.834 171.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -119.92 -24.13 6.2 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.541 1.536 . . . . 0.0 114.261 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -121.35 156.31 32.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.858 1.208 . . . . 0.0 112.414 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 tp -88.1 123.03 32.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.148 2.179 . . . . 0.0 110.069 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -113.19 112.66 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.555 1.942 . . . . 0.0 108.988 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 125.796 1.639 . . . . 0.0 109.438 -176.428 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -133.3 156.81 46.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.007 1.723 . . . . 0.0 111.483 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -104.13 124.95 50.0 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.673 1.589 . . . . 0.0 109.608 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -111.87 84.7 2.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 109.676 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.01 -69.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 C-N-CA 127.243 2.354 . . . . 0.0 113.376 -176.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.63 10.98 4.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.936 1.694 . . . . 0.0 113.974 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -127.35 149.72 49.92 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.517 1.053 . . . . 0.0 112.39 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tt -94.2 126.48 39.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.391 1.876 . . . . 0.0 109.499 170.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.0 t -125.13 121.81 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.656 1.583 . . . . 0.0 108.741 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 124.028 0.931 . . . . 0.0 111.102 178.773 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 110.491 -0.188 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -135.13 178.17 7.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.547 1.539 . . . . 0.0 112.169 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -111.3 103.07 11.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.387 1.875 . . . . 0.0 109.235 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -102.25 94.05 5.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.207 1.403 . . . . 0.0 109.75 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.04 -68.63 0.08 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.977 1.751 . . . . 0.0 113.708 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.38 8.01 1.56 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.63 1.972 . . . . 0.0 112.577 -171.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -136.52 145.25 44.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.779 1.232 . . . . 0.0 111.867 -173.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -83.14 114.44 21.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.701 1.201 . . . . 0.0 109.221 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -124.0 124.1 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.463 1.505 . . . . 0.0 110.895 -170.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 125.288 1.435 . . . . 0.0 112.188 179.246 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.2 m . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -153.76 161.14 42.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 111.948 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.19 139.56 31.34 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.152 0.981 . . . . 0.0 111.068 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -121.24 96.72 5.2 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.403 1.881 . . . . 0.0 108.539 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.76 -68.1 0.43 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.333 1.444 . . . . 0.0 113.558 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -144.92 5.61 1.15 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.9 2.08 . . . . 0.0 113.672 -170.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -140.32 146.96 39.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.221 0.918 . . . . 0.0 112.346 -174.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -85.61 132.57 34.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.816 2.046 . . . . 0.0 111.422 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -127.39 141.34 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.416 1.886 . . . . 0.0 109.151 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.419 1.087 . . . . 0.0 111.126 177.554 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.7 m . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -133.56 167.58 20.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.746 1.618 . . . . 0.0 111.395 174.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -98.06 142.59 29.58 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.184 0.994 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -131.26 84.41 2.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.816 2.046 . . . . 0.0 108.003 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 -68.08 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 C-N-CA 126.086 1.803 . . . . 0.0 114.341 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.52 6.91 1.9 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.54 1.936 . . . . 0.0 112.977 -175.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -135.07 151.67 50.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.854 1.261 . . . . 0.0 110.695 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 tp -99.92 122.03 42.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.58 1.952 . . . . 0.0 109.518 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.27 139.49 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.388 1.075 . . . . 0.0 109.576 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 124.646 1.178 . . . . 0.0 110.59 178.623 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 m . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -129.22 -175.23 3.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.507 2.323 . . . . 0.0 109.919 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -128.87 151.92 49.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.232 1.413 . . . . 0.0 111.117 -173.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -118.94 17.59 13.34 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.945 1.698 . . . . 0.0 111.759 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.42 3.3 86.88 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 126.342 1.925 . . . . 0.0 115.012 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -149.49 -42.9 0.14 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.559 1.944 . . . . 0.0 111.278 -169.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -141.8 171.88 13.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.617 1.967 . . . . 0.0 111.276 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.34 141.41 28.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.184 2.593 . . . . 0.0 111.221 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.4 t -133.36 123.92 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.876 1.67 . . . . 0.0 111.904 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 123.588 0.755 . . . . 0.0 109.99 169.187 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 37.8 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -116.26 159.9 21.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.52 1.928 . . . . 0.0 110.778 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -94.79 148.87 21.84 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.835 -0.541 . . . . 0.0 111.682 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -128.2 75.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.264 1.425 . . . . 0.0 109.576 170.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.07 -50.74 0.25 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.521 2.01 . . . . 0.0 116.776 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -133.33 -9.93 2.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.38 1.872 . . . . 0.0 113.533 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -129.42 161.26 30.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.244 1.018 . . . . 0.0 111.615 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -103.13 131.36 50.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.808 2.043 . . . . 0.0 107.271 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.35 128.41 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 124.797 1.239 . . . . 0.0 109.885 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 78.5 m . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.032 0.933 . . . . 0.0 111.418 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 120.406 0.145 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -128.02 179.73 5.42 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.9 2.08 . . . . 0.0 111.184 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -119.27 126.1 50.68 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.893 1.277 . . . . 0.0 110.49 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -107.56 87.29 2.47 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.857 1.663 . . . . 0.0 108.598 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.06 -92.83 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.495 1.521 . . . . 0.0 111.231 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.67 6.51 27.83 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.93 1.692 . . . . 0.0 112.815 -175.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -137.34 129.35 29.13 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.091 0.859 . . . . 0.0 112.534 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.59 134.85 40.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.87 1.668 . . . . 0.0 112.457 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.0 t -132.11 119.74 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.291 1.436 . . . . 0.0 110.849 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.534 0.328 0 C-N-CA 125.511 1.524 . . . . 0.0 110.541 174.26 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.015 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.7 m -121.26 141.65 50.69 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.029 0.932 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -135.79 157.77 46.03 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.592 1.957 . . . . 0.0 110.162 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -108.5 112.47 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 125.367 1.467 . . . . 0.0 108.898 -172.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -117.2 103.9 10.65 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.859 1.264 . . . . 0.0 110.398 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.32 -71.79 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.847 1.689 . . . . 0.0 112.943 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -137.88 0.58 2.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.863 1.665 . . . . 0.0 114.199 -175.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 167.27 22.57 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 tp -91.94 118.14 30.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 110.865 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.34 136.14 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.932 1.293 . . . . 0.0 108.929 170.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m -125.22 142.84 51.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 110.818 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 121.14 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 m -122.58 141.06 52.11 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.366 0.666 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -132.57 -172.8 3.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.055 2.142 . . . . 0.0 110.278 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -121.1 146.94 46.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.087 1.755 . . . . 0.0 111.66 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -132.43 98.79 4.47 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.311 1.844 . . . . 0.0 109.296 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.91 -74.7 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.087 1.327 . . . . 0.0 112.891 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.47 17.33 1.32 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 113.669 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.27 166.24 22.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 0.0 111.887 173.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.5 137.99 40.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.563 2.345 . . . . 0.0 109.644 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -133.73 127.2 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.47 1.508 . . . . 0.0 109.826 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.0 m -104.54 146.36 28.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.33 0.652 . . . . 0.0 111.355 169.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 121.199 -0.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.36 138.99 47.94 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.973 0.909 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -141.46 173.51 11.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.377 1.871 . . . . 0.0 111.742 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -109.69 134.2 52.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.43 1.492 . . . . 0.0 110.683 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -132.44 117.71 18.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.105 0.962 . . . . 0.0 109.68 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.1 -100.44 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.179 0.895 . . . . 0.0 111.762 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -114.83 6.38 15.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.593 1.157 . . . . 0.0 113.844 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HE3' ' HA ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -126.91 147.14 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.931 1.241 . . . . 0.0 113.004 -177.502 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -87.01 118.38 26.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.48 2.712 . . . . 0.0 109.573 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -117.3 132.5 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.865 1.666 . . . . 0.0 109.814 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.5 m -117.58 169.03 9.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 112.581 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 O-C-N 121.133 -0.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.3 m -132.38 152.79 51.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.554 0.742 . . . . 0.0 112.131 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -128.69 157.14 42.18 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.573 1.549 . . . . 0.0 111.064 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -88.06 133.04 34.07 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.539 0.685 . . . . 0.0 110.271 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -132.75 87.65 2.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.055 1.742 . . . . 0.0 108.607 -173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.89 -93.52 0.08 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.72 1.152 . . . . 0.0 112.798 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -100.04 -5.04 28.66 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -136.71 159.87 40.54 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -169.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 tp -94.53 112.82 24.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.998 2.519 . . . . 0.0 109.43 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.58 114.5 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.468 1.507 . . . . 0.0 109.86 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.3 m -99.34 146.0 26.74 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.248 1.019 . . . . 0.0 110.774 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 121.006 -1.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -124.75 140.2 53.15 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.624 1.17 . . . . 0.0 111.581 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -145.5 169.47 18.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.773 1.229 . . . . 0.0 111.055 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -91.22 123.5 34.71 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.185 -0.947 . . . . 0.0 110.227 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HB3' HG21 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -130.44 112.84 13.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.532 1.533 . . . . 0.0 108.751 -174.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.27 -93.06 0.33 Allowed Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.078 0.847 . . . . 0.0 111.196 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.5 10.48 4.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.026 1.73 . . . . 0.0 111.478 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.22 158.27 44.13 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.136 0.974 . . . . 0.0 113.047 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -78.65 116.11 18.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.112 1.365 . . . . 0.0 108.27 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 5' ' ' GLU . 68.9 t -104.32 102.42 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 125.32 1.448 . . . . 0.0 110.361 -177.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m -100.07 124.18 45.16 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.737 1.215 . . . . 0.0 110.804 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 120.795 -1.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 20.0 m -129.72 158.16 40.15 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.695 0.798 . . . . 0.0 112.799 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -148.27 176.75 9.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.11 1.764 . . . . 0.0 111.066 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -124.7 124.9 43.16 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.828 2.051 . . . . 0.0 109.418 -170.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -137.83 140.44 40.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.709 0.804 . . . . 0.0 111.043 -176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.07 -102.49 0.08 OUTLIER Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.867 0.746 . . . . 0.0 111.291 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -130.61 29.51 4.79 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.437 1.895 . . . . 0.0 111.976 172.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -131.13 146.7 52.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.345 1.858 . . . . 0.0 111.964 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 tt -88.93 127.47 35.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.894 1.677 . . . . 0.0 109.813 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.78 120.76 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.661 1.184 . . . . 0.0 110.976 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.0 m -102.03 147.51 26.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.888 0.875 . . . . 0.0 111.71 171.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 O-C-N 121.189 -0.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.697 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 m -134.13 146.85 50.61 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.299 1.04 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -135.37 179.6 6.23 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.013 1.725 . . . . 0.0 109.792 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.12 126.84 51.71 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.371 1.068 . . . . 0.0 108.947 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -111.92 96.12 5.87 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.32 -119.17 14.77 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 124.543 1.068 . . . . 0.0 111.136 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.96 17.53 6.71 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.57 1.148 . . . . 0.0 112.968 -175.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -131.23 124.66 31.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.178 0.991 . . . . 0.0 112.003 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.23 126.35 30.41 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.94 1.296 . . . . 0.0 111.116 171.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.86 111.97 30.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 126.616 1.966 . . . . 0.0 110.295 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.9 m -97.79 166.53 11.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.59 1.556 . . . . 0.0 111.975 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 O-C-N 121.066 -1.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.9 m -131.96 156.31 46.41 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.837 0.855 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -139.38 167.67 21.55 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.945 1.298 . . . . 0.0 111.147 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -107.97 135.76 48.81 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.017 1.727 . . . . 0.0 110.326 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.33 59.41 0.61 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.807 1.643 . . . . 0.0 109.201 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.53 -87.89 0.21 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -98.38 -9.26 25.56 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.589 1.556 . . . . 0.0 114.998 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.24 156.34 24.49 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.894 1.225 . . . . 0.0 112.49 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -106.8 131.97 53.3 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.311 1.844 . . . . 0.0 109.653 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.3 t -131.99 134.28 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.091 0.956 . . . . 0.0 110.561 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.9 m -123.7 161.09 25.82 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.455 1.502 . . . . 0.0 111.336 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 O-C-N 121.111 -0.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m -123.42 148.91 45.66 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.743 0.817 . . . . 0.0 112.551 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -145.81 162.06 38.54 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.229 2.211 . . . . 0.0 111.249 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -98.05 124.13 42.4 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.61 1.164 . . . . 0.0 108.037 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -97.71 19.74 13.12 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.911 0.863 . . . . 0.0 111.874 -170.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.32 3.5 84.51 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.477 1.513 . . . . 0.0 114.098 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -149.97 -51.22 0.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.431 1.492 . . . . 0.0 111.867 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 175.51 9.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.042 1.737 . . . . 0.0 110.843 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.12 125.91 32.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.522 1.929 . . . . 0.0 109.554 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.92 147.73 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.594 1.157 . . . . 0.0 108.669 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 m -126.15 157.65 37.57 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.659 0.784 . . . . 0.0 109.548 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 O-C-N 121.112 -0.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.4 m -133.88 149.09 51.32 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.824 0.85 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -145.47 157.27 44.04 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.895 1.278 . . . . 0.0 111.209 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -88.15 123.36 32.73 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.428 1.091 . . . . 0.0 108.878 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -123.91 96.21 4.86 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.568 1.547 . . . . 0.0 109.94 -169.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.88 -80.43 0.09 OUTLIER Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.123 1.344 . . . . 0.0 111.844 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -143.72 27.27 1.51 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.949 1.7 . . . . 0.0 112.389 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -137.38 146.97 45.12 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.682 1.593 . . . . 0.0 111.27 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -86.88 121.07 28.85 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 169.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.26 137.37 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.133 0.973 . . . . 0.0 109.765 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.3 m -121.05 157.38 30.15 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.279 1.032 . . . . 0.0 111.262 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 121.417 -0.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m -122.94 143.37 49.95 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.484 1.114 . . . . 0.0 111.812 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -149.67 176.44 10.66 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.921 1.288 . . . . 0.0 111.697 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -114.31 123.63 50.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.655 1.582 . . . . 0.0 111.466 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.76 108.17 19.55 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.988 1.715 . . . . 0.0 109.167 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.88 -77.99 0.07 OUTLIER Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.553 1.073 . . . . 0.0 112.539 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -150.17 31.2 0.68 Allowed 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 126.852 2.061 . . . . 0.0 111.066 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -133.26 135.83 45.17 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.327 1.851 . . . . 0.0 111.983 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.0 tp -83.32 129.99 35.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.577 1.151 . . . . 0.0 111.143 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.0 t -122.23 122.34 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.603 1.561 . . . . 0.0 108.454 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m -112.51 118.55 35.43 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.036 1.335 . . . . 0.0 110.321 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.214 -0.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 56.4 m -115.19 146.99 40.86 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.376 0.671 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -126.28 174.96 8.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.34 2.256 . . . . 0.0 110.595 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -124.68 136.6 54.04 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.546 1.938 . . . . 0.0 110.246 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.49 108.13 8.93 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.355 1.462 . . . . 0.0 110.224 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.47 -71.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 C-N-CA 127.972 2.701 . . . . 0.0 114.181 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.37 17.56 1.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.574 1.15 . . . . 0.0 112.068 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -133.44 164.97 25.95 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.093 -1.005 . . . . 0.0 112.561 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -106.28 135.07 48.4 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 110.313 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -140.41 128.69 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.226 1.41 . . . . 0.0 110.293 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 10.3 m -110.5 141.68 43.3 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.511 -1.368 . . . . 0.0 113.168 177.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 O-C-N 121.589 -0.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.8 m -131.94 146.33 52.03 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.225 0.61 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -136.33 177.83 7.54 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.403 1.481 . . . . 0.0 110.012 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -117.04 120.32 38.01 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.477 1.511 . . . . 0.0 110.177 -171.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -99.9 75.84 1.91 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.555 0.742 . . . . 0.0 109.874 171.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.32 -62.86 1.42 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.584 1.088 . . . . 0.0 113.834 171.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -119.92 -24.13 6.2 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.541 1.536 . . . . 0.0 114.261 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -121.35 156.31 32.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.858 1.208 . . . . 0.0 112.414 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 tp -88.1 123.03 32.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.148 2.179 . . . . 0.0 110.069 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -113.19 112.66 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.555 1.942 . . . . 0.0 108.988 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -111.37 101.14 9.62 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.796 1.639 . . . . 0.0 109.438 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 O-C-N 121.418 -0.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.36 124.41 47.67 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.58 0.752 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -133.3 156.81 46.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.007 1.723 . . . . 0.0 111.483 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -104.13 124.95 50.0 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.673 1.589 . . . . 0.0 109.608 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -111.87 84.7 2.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 109.676 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.01 -69.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 C-N-CA 127.243 2.354 . . . . 0.0 113.376 -176.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.63 10.98 4.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.936 1.694 . . . . 0.0 113.974 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -127.35 149.72 49.92 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.517 1.053 . . . . 0.0 112.39 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tt -94.2 126.48 39.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.391 1.876 . . . . 0.0 109.499 170.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.0 t -125.13 121.81 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.656 1.583 . . . . 0.0 108.741 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m -116.15 121.97 43.69 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.028 0.931 . . . . 0.0 111.102 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 121.517 -0.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.5 m -140.84 147.39 38.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.445 0.698 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -135.13 178.17 7.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.547 1.539 . . . . 0.0 112.169 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -111.3 103.07 11.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.387 1.875 . . . . 0.0 109.235 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -102.25 94.05 5.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.207 1.403 . . . . 0.0 109.75 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.04 -68.63 0.08 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.977 1.751 . . . . 0.0 113.708 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.38 8.01 1.56 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.63 1.972 . . . . 0.0 112.577 -171.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -136.52 145.25 44.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.779 1.232 . . . . 0.0 111.867 -173.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -83.14 114.44 21.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.701 1.201 . . . . 0.0 109.221 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -124.0 124.1 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.463 1.505 . . . . 0.0 110.895 -170.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m -105.24 177.74 4.76 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.288 1.435 . . . . 0.0 112.188 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 O-C-N 120.637 -1.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.2 m -125.93 153.73 43.82 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.006 0.922 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -153.76 161.14 42.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 111.948 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.19 139.56 31.34 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.152 0.981 . . . . 0.0 111.068 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -121.24 96.72 5.2 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.403 1.881 . . . . 0.0 108.539 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.76 -68.1 0.43 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.333 1.444 . . . . 0.0 113.558 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -144.92 5.61 1.15 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.9 2.08 . . . . 0.0 113.672 -170.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -140.32 146.96 39.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.221 0.918 . . . . 0.0 112.346 -174.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -85.61 132.57 34.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.816 2.046 . . . . 0.0 111.422 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -127.39 141.34 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.416 1.886 . . . . 0.0 109.151 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -126.02 154.63 42.69 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.419 1.087 . . . . 0.0 111.126 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 121.27 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.7 m -131.08 146.69 52.46 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.84 0.713 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -133.56 167.58 20.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.746 1.618 . . . . 0.0 111.395 174.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -98.06 142.59 29.58 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.184 0.994 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -131.26 84.41 2.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.816 2.046 . . . . 0.0 108.003 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 -68.08 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 C-N-CA 126.086 1.803 . . . . 0.0 114.341 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.52 6.91 1.9 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.54 1.936 . . . . 0.0 112.977 -175.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -135.07 151.67 50.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.854 1.261 . . . . 0.0 110.695 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 tp -99.92 122.03 42.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.58 1.952 . . . . 0.0 109.518 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.27 139.49 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.388 1.075 . . . . 0.0 109.576 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m -120.59 147.53 45.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.646 1.178 . . . . 0.0 110.59 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 O-C-N 121.485 -0.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 m -129.32 127.53 41.29 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.608 0.763 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -129.22 -175.23 3.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.507 2.323 . . . . 0.0 109.919 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -128.87 151.92 49.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.232 1.413 . . . . 0.0 111.117 -173.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -118.94 17.59 13.34 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.945 1.698 . . . . 0.0 111.759 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.42 3.3 86.88 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 126.342 1.925 . . . . 0.0 115.012 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -149.49 -42.9 0.14 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.559 1.944 . . . . 0.0 111.278 -169.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -141.8 171.88 13.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.617 1.967 . . . . 0.0 111.276 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.34 141.41 28.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.184 2.593 . . . . 0.0 111.221 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.4 t -133.36 123.92 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.876 1.67 . . . . 0.0 111.904 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.7 m -100.52 120.57 40.21 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.588 0.755 . . . . 0.0 109.99 169.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 O-C-N 121.045 -1.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 37.8 m -126.79 124.75 40.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.063 0.945 . . . . 0.0 109.526 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -116.26 159.9 21.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.52 1.928 . . . . 0.0 110.778 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -94.79 148.87 21.84 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.835 -0.541 . . . . 0.0 111.682 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -128.2 75.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.264 1.425 . . . . 0.0 109.576 170.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.07 -50.74 0.25 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.521 2.01 . . . . 0.0 116.776 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -133.33 -9.93 2.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.38 1.872 . . . . 0.0 113.533 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -129.42 161.26 30.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.244 1.018 . . . . 0.0 111.615 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -103.13 131.36 50.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.808 2.043 . . . . 0.0 107.271 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.35 128.41 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 124.797 1.239 . . . . 0.0 109.885 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 78.5 m -98.76 146.52 25.83 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.032 0.933 . . . . 0.0 111.418 175.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 121.565 -0.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 m -123.41 135.4 54.1 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.011 0.924 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -128.02 179.73 5.42 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.9 2.08 . . . . 0.0 111.184 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -119.27 126.1 50.68 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.893 1.277 . . . . 0.0 110.49 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -107.56 87.29 2.47 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.857 1.663 . . . . 0.0 108.598 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.06 -92.83 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.495 1.521 . . . . 0.0 111.231 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.67 6.51 27.83 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.93 1.692 . . . . 0.0 112.815 -175.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -137.34 129.35 29.13 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.091 0.859 . . . . 0.0 112.534 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.59 134.85 40.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.87 1.668 . . . . 0.0 112.457 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.0 t -132.11 119.74 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.291 1.436 . . . . 0.0 110.849 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m -107.18 140.7 39.64 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.511 1.524 . . . . 0.0 110.541 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 121.358 -0.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.7 m . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.751 0.31 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -135.79 157.77 46.03 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.592 1.957 . . . . 0.0 110.162 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -108.5 112.47 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 125.367 1.467 . . . . 0.0 108.898 -172.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -117.2 103.9 10.65 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.859 1.264 . . . . 0.0 110.398 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.32 -71.79 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.847 1.689 . . . . 0.0 112.943 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -137.88 0.58 2.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.863 1.665 . . . . 0.0 114.199 -175.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 167.27 22.57 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 tp -91.94 118.14 30.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 110.865 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.34 136.14 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.932 1.293 . . . . 0.0 108.929 170.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 110.818 176.418 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 m . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 121.054 0.454 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -132.57 -172.8 3.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.055 2.142 . . . . 0.0 110.278 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -121.1 146.94 46.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.087 1.755 . . . . 0.0 111.66 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -132.43 98.79 4.47 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.311 1.844 . . . . 0.0 109.296 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.91 -74.7 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.087 1.327 . . . . 0.0 112.891 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.47 17.33 1.32 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 113.669 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.27 166.24 22.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 0.0 111.887 173.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.5 137.99 40.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.563 2.345 . . . . 0.0 109.644 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -133.73 127.2 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.47 1.508 . . . . 0.0 109.826 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.468 0.436 0 C-N-CA 123.33 0.652 . . . . 0.0 111.355 169.727 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.8 m . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -141.46 173.51 11.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.377 1.871 . . . . 0.0 111.742 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -109.69 134.2 52.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.43 1.492 . . . . 0.0 110.683 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -132.44 117.71 18.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.105 0.962 . . . . 0.0 109.68 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.1 -100.44 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.179 0.895 . . . . 0.0 111.762 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -114.83 6.38 15.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.593 1.157 . . . . 0.0 113.844 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -126.91 147.14 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.931 1.241 . . . . 0.0 113.004 -177.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -87.01 118.38 26.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.48 2.712 . . . . 0.0 109.573 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -117.3 132.5 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.865 1.666 . . . . 0.0 109.814 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 112.581 176.4 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.3 m . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -128.69 157.14 42.18 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.573 1.549 . . . . 0.0 111.064 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -88.06 133.04 34.07 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.539 0.685 . . . . 0.0 110.271 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -132.75 87.65 2.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.055 1.742 . . . . 0.0 108.607 -173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.89 -93.52 0.08 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.72 1.152 . . . . 0.0 112.798 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -100.04 -5.04 28.66 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -136.71 159.87 40.54 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -169.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 tp -94.53 112.82 24.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.998 2.519 . . . . 0.0 109.43 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.58 114.5 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.468 1.507 . . . . 0.0 109.86 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.3 m . . . . . 0 CA--C 1.536 0.411 0 C-N-CA 124.248 1.019 . . . . 0.0 110.774 169.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m . . . . . 0 C--O 1.232 0.142 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -145.5 169.47 18.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.773 1.229 . . . . 0.0 111.055 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -91.22 123.5 34.71 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.185 -0.947 . . . . 0.0 110.227 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HB3' HG21 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -130.44 112.84 13.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.532 1.533 . . . . 0.0 108.751 -174.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.27 -93.06 0.33 Allowed Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.078 0.847 . . . . 0.0 111.196 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.5 10.48 4.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.026 1.73 . . . . 0.0 111.478 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.22 158.27 44.13 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.136 0.974 . . . . 0.0 113.047 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -78.65 116.11 18.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.112 1.365 . . . . 0.0 108.27 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 5' ' ' GLU . 68.9 t -104.32 102.42 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 125.32 1.448 . . . . 0.0 110.361 -177.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 124.737 1.215 . . . . 0.0 110.804 171.389 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 20.0 m . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -148.27 176.75 9.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.11 1.764 . . . . 0.0 111.066 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -124.7 124.9 43.16 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.828 2.051 . . . . 0.0 109.418 -170.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -137.83 140.44 40.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.709 0.804 . . . . 0.0 111.043 -176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.07 -102.49 0.08 OUTLIER Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.867 0.746 . . . . 0.0 111.291 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -130.61 29.51 4.79 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.437 1.895 . . . . 0.0 111.976 172.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -131.13 146.7 52.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.345 1.858 . . . . 0.0 111.964 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 tt -88.93 127.47 35.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.894 1.677 . . . . 0.0 109.813 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.78 120.76 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.661 1.184 . . . . 0.0 110.976 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.0 m . . . . . 0 CA--C 1.536 0.407 0 C-N-CA 123.888 0.875 . . . . 0.0 111.71 171.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 m . . . . . 0 N--CA 1.444 -0.729 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -135.37 179.6 6.23 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.013 1.725 . . . . 0.0 109.792 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.12 126.84 51.71 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.371 1.068 . . . . 0.0 108.947 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -111.92 96.12 5.87 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.32 -119.17 14.77 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 124.543 1.068 . . . . 0.0 111.136 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.96 17.53 6.71 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.57 1.148 . . . . 0.0 112.968 -175.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -131.23 124.66 31.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.178 0.991 . . . . 0.0 112.003 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.23 126.35 30.41 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.94 1.296 . . . . 0.0 111.116 171.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.86 111.97 30.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 126.616 1.966 . . . . 0.0 110.295 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.9 m . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 125.59 1.556 . . . . 0.0 111.975 174.489 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.9 m . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -139.38 167.67 21.55 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.945 1.298 . . . . 0.0 111.147 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -107.97 135.76 48.81 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.017 1.727 . . . . 0.0 110.326 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.33 59.41 0.61 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.807 1.643 . . . . 0.0 109.201 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.53 -87.89 0.21 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -98.38 -9.26 25.56 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.589 1.556 . . . . 0.0 114.998 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.24 156.34 24.49 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.894 1.225 . . . . 0.0 112.49 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -106.8 131.97 53.3 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.311 1.844 . . . . 0.0 109.653 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.3 t -131.99 134.28 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.091 0.956 . . . . 0.0 110.561 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.9 m . . . . . 0 CA--C 1.534 0.362 0 C-N-CA 125.455 1.502 . . . . 0.0 111.336 -179.749 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 CA--C 1.537 0.452 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -145.81 162.06 38.54 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.229 2.211 . . . . 0.0 111.249 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -98.05 124.13 42.4 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.61 1.164 . . . . 0.0 108.037 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -97.71 19.74 13.12 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.911 0.863 . . . . 0.0 111.874 -170.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.32 3.5 84.51 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.477 1.513 . . . . 0.0 114.098 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -149.97 -51.22 0.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.431 1.492 . . . . 0.0 111.867 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 175.51 9.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.042 1.737 . . . . 0.0 110.843 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.12 125.91 32.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.522 1.929 . . . . 0.0 109.554 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.92 147.73 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.594 1.157 . . . . 0.0 108.669 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 CA--C 1.533 0.311 0 C-N-CA 123.659 0.784 . . . . 0.0 109.548 170.568 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -145.47 157.27 44.04 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.895 1.278 . . . . 0.0 111.209 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -88.15 123.36 32.73 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.428 1.091 . . . . 0.0 108.878 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -123.91 96.21 4.86 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.568 1.547 . . . . 0.0 109.94 -169.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.88 -80.43 0.09 OUTLIER Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.123 1.344 . . . . 0.0 111.844 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -143.72 27.27 1.51 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.949 1.7 . . . . 0.0 112.389 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -137.38 146.97 45.12 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.682 1.593 . . . . 0.0 111.27 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -86.88 121.07 28.85 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 169.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.26 137.37 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.133 0.973 . . . . 0.0 109.765 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.3 m . . . . . 0 CA--C 1.534 0.347 0 C-N-CA 124.279 1.032 . . . . 0.0 111.262 174.643 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -149.67 176.44 10.66 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.921 1.288 . . . . 0.0 111.697 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -114.31 123.63 50.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.655 1.582 . . . . 0.0 111.466 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.76 108.17 19.55 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.988 1.715 . . . . 0.0 109.167 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.88 -77.99 0.07 OUTLIER Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.553 1.073 . . . . 0.0 112.539 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -150.17 31.2 0.68 Allowed 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 126.852 2.061 . . . . 0.0 111.066 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -133.26 135.83 45.17 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.327 1.851 . . . . 0.0 111.983 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.0 tp -83.32 129.99 35.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.577 1.151 . . . . 0.0 111.143 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.0 t -122.23 122.34 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.603 1.561 . . . . 0.0 108.454 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 N--CA 1.468 0.431 0 C-N-CA 125.036 1.335 . . . . 0.0 110.321 174.408 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 56.4 m . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.451 0.167 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -126.28 174.96 8.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.34 2.256 . . . . 0.0 110.595 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -124.68 136.6 54.04 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.546 1.938 . . . . 0.0 110.246 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.49 108.13 8.93 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.355 1.462 . . . . 0.0 110.224 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.47 -71.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 C-N-CA 127.972 2.701 . . . . 0.0 114.181 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.37 17.56 1.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.574 1.15 . . . . 0.0 112.068 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -133.44 164.97 25.95 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.093 -1.005 . . . . 0.0 112.561 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -106.28 135.07 48.4 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 110.313 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -140.41 128.69 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.226 1.41 . . . . 0.0 110.293 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 10.3 m . . . . . 0 N--CA 1.474 0.734 0 O-C-N 120.511 -1.368 . . . . 0.0 113.168 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.8 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.981 0.42 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -136.33 177.83 7.54 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.403 1.481 . . . . 0.0 110.012 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -117.04 120.32 38.01 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.477 1.511 . . . . 0.0 110.177 -171.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -99.9 75.84 1.91 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.555 0.742 . . . . 0.0 109.874 171.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.32 -62.86 1.42 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.584 1.088 . . . . 0.0 113.834 171.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -119.92 -24.13 6.2 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.541 1.536 . . . . 0.0 114.261 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -121.35 156.31 32.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.858 1.208 . . . . 0.0 112.414 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 tp -88.1 123.03 32.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.148 2.179 . . . . 0.0 110.069 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -113.19 112.66 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.555 1.942 . . . . 0.0 108.988 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m . . . . . 0 CA--C 1.534 0.329 0 C-N-CA 125.796 1.639 . . . . 0.0 109.438 -176.428 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.4 m . . . . . 0 N--CA 1.457 -0.106 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -133.3 156.81 46.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.007 1.723 . . . . 0.0 111.483 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -104.13 124.95 50.0 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.673 1.589 . . . . 0.0 109.608 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -111.87 84.7 2.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 109.676 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.01 -69.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 C-N-CA 127.243 2.354 . . . . 0.0 113.376 -176.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.63 10.98 4.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.936 1.694 . . . . 0.0 113.974 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -127.35 149.72 49.92 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.517 1.053 . . . . 0.0 112.39 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tt -94.2 126.48 39.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.391 1.876 . . . . 0.0 109.499 170.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.0 t -125.13 121.81 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.656 1.583 . . . . 0.0 108.741 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.469 0.48 0 C-N-CA 124.028 0.931 . . . . 0.0 111.102 178.773 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.5 m . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 110.491 -0.188 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -135.13 178.17 7.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.547 1.539 . . . . 0.0 112.169 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -111.3 103.07 11.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.387 1.875 . . . . 0.0 109.235 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -102.25 94.05 5.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.207 1.403 . . . . 0.0 109.75 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.04 -68.63 0.08 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.977 1.751 . . . . 0.0 113.708 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.38 8.01 1.56 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.63 1.972 . . . . 0.0 112.577 -171.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -136.52 145.25 44.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.779 1.232 . . . . 0.0 111.867 -173.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -83.14 114.44 21.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.701 1.201 . . . . 0.0 109.221 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -124.0 124.1 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.463 1.505 . . . . 0.0 110.895 -170.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 125.288 1.435 . . . . 0.0 112.188 179.246 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.2 m . . . . . 0 CA--C 1.535 0.371 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -153.76 161.14 42.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 111.948 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.19 139.56 31.34 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.152 0.981 . . . . 0.0 111.068 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -121.24 96.72 5.2 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.403 1.881 . . . . 0.0 108.539 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.76 -68.1 0.43 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.333 1.444 . . . . 0.0 113.558 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -144.92 5.61 1.15 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.9 2.08 . . . . 0.0 113.672 -170.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -140.32 146.96 39.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.221 0.918 . . . . 0.0 112.346 -174.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -85.61 132.57 34.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.816 2.046 . . . . 0.0 111.422 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -127.39 141.34 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.416 1.886 . . . . 0.0 109.151 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m . . . . . 0 CA--C 1.536 0.41 0 C-N-CA 124.419 1.087 . . . . 0.0 111.126 177.554 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.7 m . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -133.56 167.58 20.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.746 1.618 . . . . 0.0 111.395 174.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -98.06 142.59 29.58 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.184 0.994 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -131.26 84.41 2.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.816 2.046 . . . . 0.0 108.003 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 -68.08 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 C-N-CA 126.086 1.803 . . . . 0.0 114.341 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.52 6.91 1.9 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.54 1.936 . . . . 0.0 112.977 -175.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -135.07 151.67 50.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.854 1.261 . . . . 0.0 110.695 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 tp -99.92 122.03 42.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.58 1.952 . . . . 0.0 109.518 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.27 139.49 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.388 1.075 . . . . 0.0 109.576 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 124.646 1.178 . . . . 0.0 110.59 178.623 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 m . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -129.22 -175.23 3.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.507 2.323 . . . . 0.0 109.919 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -128.87 151.92 49.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.232 1.413 . . . . 0.0 111.117 -173.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -118.94 17.59 13.34 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.945 1.698 . . . . 0.0 111.759 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.42 3.3 86.88 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 126.342 1.925 . . . . 0.0 115.012 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -149.49 -42.9 0.14 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.559 1.944 . . . . 0.0 111.278 -169.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -141.8 171.88 13.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.617 1.967 . . . . 0.0 111.276 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.34 141.41 28.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.184 2.593 . . . . 0.0 111.221 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.4 t -133.36 123.92 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.876 1.67 . . . . 0.0 111.904 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 N--CA 1.47 0.534 0 C-N-CA 123.588 0.755 . . . . 0.0 109.99 169.187 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 37.8 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -116.26 159.9 21.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.52 1.928 . . . . 0.0 110.778 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -94.79 148.87 21.84 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.835 -0.541 . . . . 0.0 111.682 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -128.2 75.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.264 1.425 . . . . 0.0 109.576 170.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.07 -50.74 0.25 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.521 2.01 . . . . 0.0 116.776 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -133.33 -9.93 2.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.38 1.872 . . . . 0.0 113.533 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -129.42 161.26 30.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.244 1.018 . . . . 0.0 111.615 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -103.13 131.36 50.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.808 2.043 . . . . 0.0 107.271 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.35 128.41 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 124.797 1.239 . . . . 0.0 109.885 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 78.5 m . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.032 0.933 . . . . 0.0 111.418 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 120.406 0.145 . . . . 0.0 111.35 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -128.02 179.73 5.42 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.9 2.08 . . . . 0.0 111.184 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -119.27 126.1 50.68 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.893 1.277 . . . . 0.0 110.49 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -107.56 87.29 2.47 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.857 1.663 . . . . 0.0 108.598 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.06 -92.83 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.495 1.521 . . . . 0.0 111.231 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.67 6.51 27.83 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.93 1.692 . . . . 0.0 112.815 -175.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -137.34 129.35 29.13 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.091 0.859 . . . . 0.0 112.534 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.59 134.85 40.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.87 1.668 . . . . 0.0 112.457 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.0 t -132.11 119.74 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.291 1.436 . . . . 0.0 110.849 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.534 0.328 0 C-N-CA 125.511 1.524 . . . . 0.0 110.541 174.26 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.015 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 81.7 m -121.26 141.65 50.69 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.029 0.932 . . . . 0.0 110.226 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -135.79 157.77 46.03 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 126.592 1.957 . . . . 0.0 110.162 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -108.5 112.47 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 125.367 1.467 . . . . 0.0 108.898 -172.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -117.2 103.9 10.65 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 124.859 1.264 . . . . 0.0 110.398 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.32 -71.79 0.22 Allowed Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.847 1.689 . . . . 0.0 112.943 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -137.88 0.58 2.21 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.863 1.665 . . . . 0.0 114.199 -175.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.39 167.27 22.57 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -175.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.7 tp -91.94 118.14 30.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 110.865 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.0 t -106.34 136.14 42.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.932 1.293 . . . . 0.0 108.929 170.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 98.7 m -125.22 142.84 51.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.855 1.262 . . . . 0.0 110.818 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 121.14 -0.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.2 m -122.58 141.06 52.11 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.366 0.666 . . . . 0.0 111.468 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.6 p-80 -132.57 -172.8 3.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.055 2.142 . . . . 0.0 110.278 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -121.1 146.94 46.21 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.087 1.755 . . . . 0.0 111.66 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -132.43 98.79 4.47 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.311 1.844 . . . . 0.0 109.296 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.91 -74.7 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.087 1.327 . . . . 0.0 112.891 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.47 17.33 1.32 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.119 1.768 . . . . 0.0 113.669 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.27 166.24 22.95 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 0.0 111.887 173.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tt -102.5 137.99 40.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 127.563 2.345 . . . . 0.0 109.644 -175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -133.73 127.2 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.47 1.508 . . . . 0.0 109.826 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 40.0 m -104.54 146.36 28.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.33 0.652 . . . . 0.0 111.355 169.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 O-C-N 121.199 -0.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.172 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 71.8 m -132.36 138.99 47.94 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.973 0.909 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -141.46 173.51 11.43 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.377 1.871 . . . . 0.0 111.742 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -109.69 134.2 52.25 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.43 1.492 . . . . 0.0 110.683 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -132.44 117.71 18.41 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.105 0.962 . . . . 0.0 109.68 173.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 56.1 -100.44 0.1 Allowed Glycine 0 CA--C 1.529 0.963 0 C-N-CA 124.179 0.895 . . . . 0.0 111.762 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -114.83 6.38 15.46 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.593 1.157 . . . . 0.0 113.844 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.515 ' HA ' ' HE3' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -126.91 147.14 50.09 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 119.931 1.241 . . . . 0.0 113.004 -177.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.8 tp -87.01 118.38 26.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.48 2.712 . . . . 0.0 109.573 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -117.3 132.5 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.865 1.666 . . . . 0.0 109.814 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 62.5 m -117.58 169.03 9.87 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.995 0.918 . . . . 0.0 112.581 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 O-C-N 121.133 -0.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.3 m -132.38 152.79 51.3 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.554 0.742 . . . . 0.0 112.131 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -128.69 157.14 42.18 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.573 1.549 . . . . 0.0 111.064 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -88.06 133.04 34.07 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 121.539 0.685 . . . . 0.0 110.271 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -132.75 87.65 2.43 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.055 1.742 . . . . 0.0 108.607 -173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 61.89 -93.52 0.08 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.72 1.152 . . . . 0.0 112.798 -176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -100.04 -5.04 28.66 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -136.71 159.87 40.54 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -169.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.8 tp -94.53 112.82 24.59 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 127.998 2.519 . . . . 0.0 109.43 172.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -101.58 114.5 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.468 1.507 . . . . 0.0 109.86 177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 39.3 m -99.34 146.0 26.74 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.248 1.019 . . . . 0.0 110.774 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 121.006 -1.059 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 61.0 m -124.75 140.2 53.15 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.624 1.17 . . . . 0.0 111.581 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -145.5 169.47 18.29 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.773 1.229 . . . . 0.0 111.055 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -91.22 123.5 34.71 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.185 -0.947 . . . . 0.0 110.227 171.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HB3' HG21 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -130.44 112.84 13.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.532 1.533 . . . . 0.0 108.751 -174.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.27 -93.06 0.33 Allowed Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.078 0.847 . . . . 0.0 111.196 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.5 10.48 4.41 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.026 1.73 . . . . 0.0 111.478 -176.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -141.22 158.27 44.13 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 124.136 0.974 . . . . 0.0 113.047 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -78.65 116.11 18.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.112 1.365 . . . . 0.0 108.27 168.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 5' ' ' GLU . 68.9 t -104.32 102.42 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 C-N-CA 125.32 1.448 . . . . 0.0 110.361 -177.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.3 m -100.07 124.18 45.16 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.737 1.215 . . . . 0.0 110.804 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 120.795 -1.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 20.0 m -129.72 158.16 40.15 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.695 0.798 . . . . 0.0 112.799 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -148.27 176.75 9.99 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.11 1.764 . . . . 0.0 111.066 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -124.7 124.9 43.16 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.828 2.051 . . . . 0.0 109.418 -170.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -137.83 140.44 40.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.709 0.804 . . . . 0.0 111.043 -176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 52.07 -102.49 0.08 OUTLIER Glycine 0 CA--C 1.535 1.336 0 C-N-CA 123.867 0.746 . . . . 0.0 111.291 -169.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -130.61 29.51 4.79 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.437 1.895 . . . . 0.0 111.976 172.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -131.13 146.7 52.45 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.345 1.858 . . . . 0.0 111.964 -172.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.9 tt -88.93 127.47 35.65 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.894 1.677 . . . . 0.0 109.813 172.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -126.78 120.76 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.661 1.184 . . . . 0.0 110.976 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 73.0 m -102.03 147.51 26.5 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.888 0.875 . . . . 0.0 111.71 171.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 O-C-N 121.189 -0.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.697 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.7 m -134.13 146.85 50.61 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 124.299 1.04 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -135.37 179.6 6.23 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.013 1.725 . . . . 0.0 109.792 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.6 m95 -120.12 126.84 51.71 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.371 1.068 . . . . 0.0 108.947 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -111.92 96.12 5.87 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 170.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 57.32 -119.17 14.77 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 124.543 1.068 . . . . 0.0 111.136 -169.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.96 17.53 6.71 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.57 1.148 . . . . 0.0 112.968 -175.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -131.23 124.66 31.04 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.178 0.991 . . . . 0.0 112.003 -173.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 37.0 tp -74.23 126.35 30.41 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.94 1.296 . . . . 0.0 111.116 171.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -124.86 111.97 30.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 126.616 1.966 . . . . 0.0 110.295 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 86.9 m -97.79 166.53 11.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.59 1.556 . . . . 0.0 111.975 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 O-C-N 121.066 -1.022 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.195 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.9 m -131.96 156.31 46.41 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.837 0.855 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -139.38 167.67 21.55 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.945 1.298 . . . . 0.0 111.147 169.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 58.5 m95 -107.97 135.76 48.81 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.017 1.727 . . . . 0.0 110.326 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -108.33 59.41 0.61 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.807 1.643 . . . . 0.0 109.201 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.53 -87.89 0.21 Allowed Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -98.38 -9.26 25.56 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.589 1.556 . . . . 0.0 114.998 -175.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -114.24 156.34 24.49 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.894 1.225 . . . . 0.0 112.49 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -106.8 131.97 53.3 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.311 1.844 . . . . 0.0 109.653 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.3 t -131.99 134.28 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.091 0.956 . . . . 0.0 110.561 175.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.9 m -123.7 161.09 25.82 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.455 1.502 . . . . 0.0 111.336 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 O-C-N 121.111 -0.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 73.0 m -123.42 148.91 45.66 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.743 0.817 . . . . 0.0 112.551 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -145.81 162.06 38.54 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 127.229 2.211 . . . . 0.0 111.249 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -98.05 124.13 42.4 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.61 1.164 . . . . 0.0 108.037 172.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -97.71 19.74 13.12 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.911 0.863 . . . . 0.0 111.874 -170.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.32 3.5 84.51 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.477 1.513 . . . . 0.0 114.098 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -149.97 -51.22 0.14 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.431 1.492 . . . . 0.0 111.867 -172.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.25 175.51 9.53 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.042 1.737 . . . . 0.0 110.843 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -84.12 125.91 32.59 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.522 1.929 . . . . 0.0 109.554 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.2 t -122.92 147.73 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 C-N-CA 124.594 1.157 . . . . 0.0 108.669 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 m -126.15 157.65 37.57 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.659 0.784 . . . . 0.0 109.548 170.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 O-C-N 121.112 -0.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.056 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 84.4 m -133.88 149.09 51.32 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.824 0.85 . . . . 0.0 110.093 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -145.47 157.27 44.04 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.895 1.278 . . . . 0.0 111.209 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -88.15 123.36 32.73 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.428 1.091 . . . . 0.0 108.878 169.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -123.91 96.21 4.86 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.568 1.547 . . . . 0.0 109.94 -169.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.88 -80.43 0.09 OUTLIER Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.123 1.344 . . . . 0.0 111.844 -173.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -143.72 27.27 1.51 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.949 1.7 . . . . 0.0 112.389 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -137.38 146.97 45.12 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.682 1.593 . . . . 0.0 111.27 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tt -86.88 121.07 28.85 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 169.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.2 t -124.26 137.37 57.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.133 0.973 . . . . 0.0 109.765 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 70.3 m -121.05 157.38 30.15 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.279 1.032 . . . . 0.0 111.262 174.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 121.417 -0.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.164 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 74.0 m -122.94 143.37 49.95 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.484 1.114 . . . . 0.0 111.812 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -149.67 176.44 10.66 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.921 1.288 . . . . 0.0 111.697 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -114.31 123.63 50.0 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.655 1.582 . . . . 0.0 111.466 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -106.76 108.17 19.55 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.988 1.715 . . . . 0.0 109.167 172.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.88 -77.99 0.07 OUTLIER Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.553 1.073 . . . . 0.0 112.539 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -150.17 31.2 0.68 Allowed 'General case' 0 CA--C 1.559 1.301 0 C-N-CA 126.852 2.061 . . . . 0.0 111.066 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 tttp -133.26 135.83 45.17 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 126.327 1.851 . . . . 0.0 111.983 -175.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.0 tp -83.32 129.99 35.03 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.577 1.151 . . . . 0.0 111.143 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.0 t -122.23 122.34 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.603 1.561 . . . . 0.0 108.454 171.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m -112.51 118.55 35.43 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.036 1.335 . . . . 0.0 110.321 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.214 -0.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 56.4 m -115.19 146.99 40.86 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.376 0.671 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -126.28 174.96 8.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.34 2.256 . . . . 0.0 110.595 175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -124.68 136.6 54.04 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.546 1.938 . . . . 0.0 110.246 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.49 108.13 8.93 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.355 1.462 . . . . 0.0 110.224 -177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.47 -71.82 0.04 OUTLIER Glycine 0 CA--C 1.53 1.001 0 C-N-CA 127.972 2.701 . . . . 0.0 114.181 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.37 17.56 1.52 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.574 1.15 . . . . 0.0 112.068 175.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -133.44 164.97 25.95 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.093 -1.005 . . . . 0.0 112.561 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 tt -106.28 135.07 48.4 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.684 2.393 . . . . 0.0 110.313 -174.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.2 t -140.41 128.69 24.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 125.226 1.41 . . . . 0.0 110.293 -176.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 10.3 m -110.5 141.68 43.3 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 120.511 -1.368 . . . . 0.0 113.168 177.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 O-C-N 121.589 -0.694 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.8 m -131.94 146.33 52.03 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.225 0.61 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.3 p-80 -136.33 177.83 7.54 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.403 1.481 . . . . 0.0 110.012 171.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -117.04 120.32 38.01 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.477 1.511 . . . . 0.0 110.177 -171.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -99.9 75.84 1.91 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.555 0.742 . . . . 0.0 109.874 171.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.32 -62.86 1.42 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.584 1.088 . . . . 0.0 113.834 171.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -119.92 -24.13 6.2 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.541 1.536 . . . . 0.0 114.261 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -121.35 156.31 32.88 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.858 1.208 . . . . 0.0 112.414 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.4 tp -88.1 123.03 32.36 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.148 2.179 . . . . 0.0 110.069 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -113.19 112.66 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 126.555 1.942 . . . . 0.0 108.988 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.4 m -111.37 101.14 9.62 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.796 1.639 . . . . 0.0 109.438 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 O-C-N 121.418 -0.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 79.4 m -118.36 124.41 47.67 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.58 0.752 . . . . 0.0 110.195 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.3 p-80 -133.3 156.81 46.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.007 1.723 . . . . 0.0 111.483 -172.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -104.13 124.95 50.0 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.673 1.589 . . . . 0.0 109.608 -175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -111.87 84.7 2.0 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 109.676 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.01 -69.05 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 C-N-CA 127.243 2.354 . . . . 0.0 113.376 -176.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -132.63 10.98 4.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.936 1.694 . . . . 0.0 113.974 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -127.35 149.72 49.92 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.517 1.053 . . . . 0.0 112.39 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 tt -94.2 126.48 39.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.391 1.876 . . . . 0.0 109.499 170.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.0 t -125.13 121.81 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 125.656 1.583 . . . . 0.0 108.741 -176.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 68.2 m -116.15 121.97 43.69 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.028 0.931 . . . . 0.0 111.102 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 121.517 -0.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.5 m -140.84 147.39 38.91 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 123.445 0.698 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.5 p-80 -135.13 178.17 7.24 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.547 1.539 . . . . 0.0 112.169 177.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -111.3 103.07 11.44 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.387 1.875 . . . . 0.0 109.235 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -102.25 94.05 5.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.207 1.403 . . . . 0.0 109.75 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.04 -68.63 0.08 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.977 1.751 . . . . 0.0 113.708 -175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.38 8.01 1.56 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.63 1.972 . . . . 0.0 112.577 -171.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -136.52 145.25 44.86 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.779 1.232 . . . . 0.0 111.867 -173.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.9 tt -83.14 114.44 21.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.701 1.201 . . . . 0.0 109.221 169.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.3 t -124.0 124.1 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.463 1.505 . . . . 0.0 110.895 -170.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m -105.24 177.74 4.76 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.288 1.435 . . . . 0.0 112.188 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 O-C-N 120.637 -1.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.2 m -125.93 153.73 43.82 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.006 0.922 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -153.76 161.14 42.35 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.281 1.432 . . . . 0.0 111.948 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -95.19 139.56 31.34 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.152 0.981 . . . . 0.0 111.068 175.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -121.24 96.72 5.2 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.403 1.881 . . . . 0.0 108.539 173.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.76 -68.1 0.43 Allowed Glycine 0 CA--C 1.532 1.128 0 C-N-CA 125.333 1.444 . . . . 0.0 113.558 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -144.92 5.61 1.15 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.9 2.08 . . . . 0.0 113.672 -170.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -140.32 146.96 39.18 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.221 0.918 . . . . 0.0 112.346 -174.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.6 tp -85.61 132.57 34.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.816 2.046 . . . . 0.0 111.422 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.7 t -127.39 141.34 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.416 1.886 . . . . 0.0 109.151 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 74.0 m -126.02 154.63 42.69 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.419 1.087 . . . . 0.0 111.126 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 121.27 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 47.7 m -131.08 146.69 52.46 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.84 0.713 . . . . 0.0 111.533 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -133.56 167.58 20.21 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.746 1.618 . . . . 0.0 111.395 174.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -98.06 142.59 29.58 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.184 0.994 . . . . 0.0 112.011 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -131.26 84.41 2.18 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.816 2.046 . . . . 0.0 108.003 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.92 -68.08 0.19 Allowed Glycine 0 CA--C 1.53 1.031 0 C-N-CA 126.086 1.803 . . . . 0.0 114.341 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.52 6.91 1.9 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.54 1.936 . . . . 0.0 112.977 -175.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -135.07 151.67 50.97 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.854 1.261 . . . . 0.0 110.695 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 tp -99.92 122.03 42.22 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.58 1.952 . . . . 0.0 109.518 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.9 t -112.27 139.49 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.388 1.075 . . . . 0.0 109.576 176.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.3 m -120.59 147.53 45.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.646 1.178 . . . . 0.0 110.59 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 O-C-N 121.485 -0.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 46.1 m -129.32 127.53 41.29 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.608 0.763 . . . . 0.0 110.15 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -129.22 -175.23 3.5 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.507 2.323 . . . . 0.0 109.919 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 88.9 m95 -128.87 151.92 49.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.232 1.413 . . . . 0.0 111.117 -173.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -118.94 17.59 13.34 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.945 1.698 . . . . 0.0 111.759 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.42 3.3 86.88 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 126.342 1.925 . . . . 0.0 115.012 176.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -149.49 -42.9 0.14 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.559 1.944 . . . . 0.0 111.278 -169.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -141.8 171.88 13.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.617 1.967 . . . . 0.0 111.276 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.1 tp -87.34 141.41 28.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 128.184 2.593 . . . . 0.0 111.221 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.4 t -133.36 123.92 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.876 1.67 . . . . 0.0 111.904 172.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 61.7 m -100.52 120.57 40.21 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.588 0.755 . . . . 0.0 109.99 169.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 O-C-N 121.045 -1.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 37.8 m -126.79 124.75 40.4 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 124.063 0.945 . . . . 0.0 109.526 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.2 p-80 -116.26 159.9 21.21 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.52 1.928 . . . . 0.0 110.778 -176.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -94.79 148.87 21.84 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.835 -0.541 . . . . 0.0 111.682 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -128.2 75.33 1.61 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.264 1.425 . . . . 0.0 109.576 170.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.07 -50.74 0.25 Allowed Glycine 0 CA--C 1.537 1.418 0 C-N-CA 126.521 2.01 . . . . 0.0 116.776 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -133.33 -9.93 2.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.38 1.872 . . . . 0.0 113.533 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -129.42 161.26 30.77 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.244 1.018 . . . . 0.0 111.615 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.3 tp -103.13 131.36 50.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.808 2.043 . . . . 0.0 107.271 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.6 t -126.35 128.41 71.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 C-N-CA 124.797 1.239 . . . . 0.0 109.885 176.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 78.5 m -98.76 146.52 25.83 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.032 0.933 . . . . 0.0 111.418 175.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 121.565 -0.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 35.3 m -123.41 135.4 54.1 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.011 0.924 . . . . 0.0 111.35 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 -128.02 179.73 5.42 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.9 2.08 . . . . 0.0 111.184 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -119.27 126.1 50.68 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.893 1.277 . . . . 0.0 110.49 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -107.56 87.29 2.47 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.857 1.663 . . . . 0.0 108.598 178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 60.06 -92.83 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.495 1.521 . . . . 0.0 111.231 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.67 6.51 27.83 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.93 1.692 . . . . 0.0 112.815 -175.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -137.34 129.35 29.13 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.091 0.859 . . . . 0.0 112.534 -169.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.59 134.85 40.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.87 1.668 . . . . 0.0 112.457 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.0 t -132.11 119.74 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 125.291 1.436 . . . . 0.0 110.849 -177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 71.0 m -107.18 140.7 39.64 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.511 1.524 . . . . 0.0 110.541 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 O-C-N 121.358 -0.839 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_