data_2cyk_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 2cyk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 127' ' ' CYS . 45.1 m-70 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.734 0.642 . . . . 7.47 112.734 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -160.31 179.12 8.93 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 108.826 -0.805 . . . . 6.5 108.826 165.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.34 146.61 28.58 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 127.082 2.739 . . . . 2.58 106.289 176.825 -89.881 5.741 93.936 104.005 2.024 100.395 172.151 -93.674 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.404 ' H ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -108.8 162.33 14.28 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.416 -1.698 . . . . 2.42 106.416 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.2 mm -57.71 -40.53 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 117.126 -1.83 . . . . 2.58 109.518 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.507 ' O ' HD11 ' A' ' 10' ' ' ILE . 2.7 m -43.58 -43.7 5.79 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 127.642 2.377 . . . . 1.77 113.286 -174.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 4' ' ' ASP 0.294 0.3 OUTLIER -81.03 -30.8 34.78 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 117.965 -1.494 . . . . 2.73 111.788 -176.02 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -45.37 93.34 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 119.447 -0.901 . . . . 2.55 109.174 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.89 -57.95 8.56 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 125.748 1.905 . . . . 1.79 111.434 170.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.525 HD13 ' OD1' ' A' ' 89' ' ' ASN . 1.2 mp -45.73 -56.92 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 120.46 -0.496 . . . . 1.82 110.542 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.94 -36.08 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 CA-C-N 114.663 -1.153 . . . . 1.7 109.75 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.295 22.7 tttt -60.44 -45.44 93.65 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 116.826 -1.949 . . . . 3.39 112.947 171.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 m -63.68 -43.16 97.49 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.749 1.018 . . . . 1.3 113.749 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.36 -51.94 67.75 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 124.376 1.048 . . . . 2.19 109.501 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -44.76 -64.3 0.73 Allowed 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 111.0 -2.818 . . . . 2.13 108.962 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.76 -1.25 6.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.523 0.935 . . . . 1.95 113.523 -171.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -92.47 -42.22 9.85 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 119.773 -0.771 . . . . 1.68 111.023 164.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -53.02 -37.39 61.47 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.481 1.113 . . . . 2.38 111.114 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -79.46 1.49 25.39 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.016 1.488 . . . . 2.34 115.016 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -146.23 41.8 1.17 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.747 1.26 . . . . 2.99 109.658 -176.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.585 ' HZ1' ' CD1' ' A' ' 113' ' ' LEU . 1.8 mttp -111.42 124.58 52.56 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 110.707 -2.951 . . . . 4.55 108.193 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.75 -75.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 109.066 -0.716 . . . . 4.0 109.066 -167.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.54 -33.72 41.66 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.533 0.938 . . . . 5.11 113.533 -169.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 m -118.39 22.69 11.98 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 113.607 -1.633 . . . . 2.36 108.941 -173.124 -50.092 -31.808 -79.633 99.283 2.035 105.831 -132.761 -174.598 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.446 ' CG2' ' HG2' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -85.67 177.72 7.6 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 112.062 -2.335 . . . . 2.99 106.29 162.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 82.49 -41.66 0.12 Allowed 'General case' 0 CA--C 1.554 1.111 0 O-C-N 126.507 2.38 . . . . 4.46 112.898 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -39.14 139.81 0.46 Allowed 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 115.539 1.681 . . . . 2.41 115.539 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -72.62 124.44 25.27 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 113.745 -1.57 . . . . 1.69 112.429 -168.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.6 164.52 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 122.829 1.3 . . . . 1.82 109.426 174.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 m -58.45 121.97 12.18 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 111.861 -2.427 . . . . 1.65 112.335 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -79.72 71.95 6.39 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 121.946 0.879 . . . . 2.37 111.313 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.559 HD11 ' O ' ' A' ' 32' ' ' ILE . 2.0 pp -73.54 19.55 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 115.598 1.703 . . . . 1.79 115.598 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.487 ' CE1' HD13 ' A' ' 32' ' ' ILE . 71.6 m-85 -115.8 -15.29 11.31 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 124.466 1.104 . . . . 2.27 112.952 -175.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.27 28.57 5.78 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 115.672 1.73 . . . . 2.6 115.672 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.24 102.84 3.92 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.122 -1.436 . . . . 3.54 107.122 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m 20.28 54.59 0.01 OUTLIER 'General case' 0 C--N 1.355 0.804 0 O-C-N 126.391 2.307 . . . . 5.2 112.38 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.428 ' NZ ' ' OD1' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -84.22 22.33 1.24 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 110.502 -3.044 . . . . 7.1 109.804 -172.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' OD1' ' NZ ' ' A' ' 37' ' ' LYS . 0.8 OUTLIER -77.07 4.17 10.78 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 118.643 -1.223 . . . . 4.48 111.573 -173.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 t -50.63 178.35 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 113.342 -1.754 . . . . 2.37 111.054 158.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.53 141.88 56.72 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 111.121 -2.763 . . . . 1.86 109.548 -170.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.1 -37.94 7.47 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 112.562 -2.108 . . . . 2.16 112.449 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -60.42 -40.39 90.88 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 112.088 -2.323 . . . . 3.48 111.878 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.71 -49.24 63.67 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 114.739 -1.118 . . . . 2.3 111.644 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -41.84 38.85 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.429 -1.714 . . . . 1.27 109.903 174.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -71.31 -36.3 71.57 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 118.791 -1.164 . . . . 2.27 111.865 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.4 t -61.25 -62.78 1.59 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.063 -1.458 . . . . 1.67 107.063 -178.938 -165.569 -148.529 80.684 98.909 2.032 104.653 124.658 -36.445 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.507 HH12 ' CD ' ' A' ' 103' ' ' GLU 0.308 0.0 OUTLIER -57.66 -30.84 65.76 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 111.474 -2.603 . . . . 4.71 113.82 -179.509 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.39 -31.57 60.5 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.222 1.01 . . . . 1.16 112.227 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.97 50.9 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.657 -1.156 . . . . 1.27 108.473 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 m -47.13 -35.07 6.72 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 125.311 1.632 . . . . 1.38 114.608 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.19 -38.03 47.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 C-N-CA 117.44 -1.704 . . . . 2.09 111.209 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.56 -31.57 71.61 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.298 -0.41 . . . . 2.69 110.575 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -59.9 -66.47 0.51 Allowed 'General case' 0 C--N 1.354 0.783 0 O-C-N 126.735 2.522 . . . . 3.14 110.234 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -52.88 -28.73 24.51 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 111.915 -2.402 . . . . 3.24 110.587 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -64.3 -79.21 0.04 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 117.852 -1.539 . . . . 2.39 110.574 171.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.574 ' O ' HD11 ' A' ' 80' ' ' ILE . 2.5 p90 -57.73 -35.03 70.14 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 118.68 -1.208 . . . . 2.22 112.017 -166.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.5 m -82.93 -45.46 14.14 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 126.507 2.379 . . . . 1.77 113.032 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -63.59 -47.27 82.14 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 117.416 -1.714 . . . . 2.27 109.395 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -61.74 -64.22 1.01 Allowed 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 111.24 -2.709 . . . . 3.56 109.455 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 9.46 -10.71 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.893 1 O-C-N 114.294 -5.254 . . . . 1.92 113.647 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -147.55 -120.09 0.06 Allowed 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 122.537 1.161 . . . . 3.73 110.453 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . 0.253 8.0 t0 51.2 17.71 0.51 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 129.504 3.122 . . . . 2.8 114.774 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 m 57.39 -2.3 0.06 Allowed 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 114.921 -1.036 . . . . 3.0 113.215 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -86.25 81.03 8.55 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 119.504 -0.879 . . . . 5.6 109.39 -154.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 47.9 t 107.33 1.91 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.657 2.783 . . . . 2.71 110.624 -178.047 -174.598 -132.761 -79.633 105.831 2.035 99.283 -31.808 -50.092 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -52.26 -31.23 31.59 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 122.404 1.097 . . . . 2.82 112.034 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.34 -12.94 67.78 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 114.249 -1.341 . . . . 2.72 112.62 163.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 79.4 -41.45 0.25 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.547 -0.827 . . . . 3.21 112.385 170.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.82 67.11 2.83 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.455 0.909 . . . . 2.62 113.455 -174.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 9.94 -28.0 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.449 0 CA-C-O 123.735 1.731 . . . . 2.26 112.992 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -77.16 -52.49 9.18 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 112.578 -2.101 . . . . 2.58 110.924 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -57.42 -29.27 63.99 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.129 -2.305 . . . . 4.29 110.019 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -60.34 -38.9 85.21 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 113.592 -1.64 . . . . 2.83 110.263 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.28 -35.88 74.53 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 118.054 -1.459 . . . . 2.34 111.218 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -66.53 -47.02 74.24 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 112.847 -1.979 . . . . 3.03 109.434 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -47.67 -54.04 13.19 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.29 -1.323 . . . . 1.9 110.57 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -58.35 -44.11 88.65 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 114.161 -1.381 . . . . 3.56 110.16 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.28 -53.8 48.78 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.516 0.932 . . . . 2.7 113.516 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -60.68 3.45 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.555 -1.276 . . . . 2.42 107.555 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.574 HD11 ' O ' ' A' ' 56' ' ' TYR . 2.3 mt -46.12 -35.04 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.523 0 N-CA-C 113.952 1.093 . . . . 2.28 113.952 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.8 ttt85 -72.97 -39.49 66.08 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 122.092 0.949 . . . . 3.37 110.607 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -73.96 -38.36 64.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 114.651 -1.159 . . . . 3.02 111.47 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.66 -31.94 71.15 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 111.952 -2.385 . . . . 2.02 107.328 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -63.09 -43.9 97.24 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 118.406 -1.317 . . . . 2.4 111.87 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -56.1 -53.86 51.93 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 116.733 -1.987 . . . . 4.12 108.613 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.1 tp -52.32 -40.78 62.33 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 112.448 -2.16 . . . . 1.37 113.42 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.87 -62.46 1.63 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 118.584 -1.247 . . . . 1.5 109.447 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -56.87 -22.39 36.63 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 112.169 -2.287 . . . . 4.25 113.518 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.525 ' OD1' HD13 ' A' ' 10' ' ' ILE . 2.4 t-20 -114.35 -3.89 13.04 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.44 1.114 . . . . 3.46 110.84 -172.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.81 -38.16 64.68 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 106.165 -1.791 . . . . 1.84 106.165 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -52.8 -40.23 63.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 117.59 -1.644 . . . . 0.8 111.679 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.1 -34.2 80.69 Favored Glycine 0 CA--C 1.55 2.267 0 C-N-CA 118.336 -1.887 . . . . 0.89 113.476 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.7 tp -79.2 -27.15 42.55 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 114.041 -1.079 . . . . 1.75 110.84 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.59 -63.81 1.21 Allowed 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 113.889 -1.505 . . . . 1.41 109.138 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.91 -53.66 0.64 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 108.692 -1.763 . . . . 2.01 108.692 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.416 HD21 ' SG ' ' A' ' 99' ' ' CYS . 5.2 tp -83.43 166.88 18.0 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 113.033 -1.583 . . . . 2.34 108.653 -173.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -154.49 53.31 0.67 Allowed 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 125.824 1.952 . . . . 2.07 107.693 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.487 ' C ' ' SG ' ' A' ' 99' ' ' CYS . 30.6 t -163.26 91.91 0.72 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 111.271 -2.695 . . . . 2.24 106.763 170.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.487 ' SG ' ' C ' ' A' ' 98' ' ' SER . 3.2 m -158.18 84.74 2.62 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 106.294 -1.743 . . . . 1.98 106.294 -177.151 -36.445 124.658 80.684 104.653 2.032 98.909 -148.529 -165.569 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.93 -114.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.364 1.361 0 N-CA-C 106.252 -2.249 . . . . 3.57 106.252 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.451 ' CG2' ' H ' ' A' ' 102' ' ' LYS . 19.3 m 155.9 -112.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 112.322 -3.751 . . . . 4.41 108.229 -175.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' H ' ' CG2' ' A' ' 101' ' ' VAL . 1.9 ptmt 126.45 39.19 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 130.001 3.32 . . . . 6.22 106.826 163.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.507 ' CD ' HH12 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -68.05 128.55 36.94 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 114.762 -2.775 . . . . 2.84 107.149 178.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.61 28.29 6.26 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 111.569 -2.56 . . . . 2.17 108.575 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -95.13 173.29 7.64 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 104.305 -2.479 . . . . 3.3 104.305 153.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -136.87 152.41 50.21 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 103.122 -2.918 . . . . 2.9 103.122 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . 0.44 1.5 t -142.04 -166.89 2.33 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 124.605 1.191 . . . . 1.98 108.037 166.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.1 p -102.72 164.26 11.74 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 125.139 1.525 . . . . 1.94 107.002 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -82.09 -22.76 36.1 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.596 -1.261 . . . . 1.93 107.596 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -58.47 -58.69 7.42 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.36 -1.719 . . . . 2.1 106.36 171.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -63.94 -30.92 71.96 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 112.943 -1.935 . . . . 1.91 111.265 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.78 -42.28 88.62 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 120.399 -1.438 . . . . 2.26 111.418 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.585 ' CD1' ' HZ1' ' A' ' 21' ' ' LYS . 7.0 mt -71.42 -34.71 70.57 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 116.18 -2.208 . . . . 2.31 110.822 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -59.41 4.77 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 126.047 2.092 . . . . 1.43 108.681 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.718 ' O ' HD11 ' A' ' 119' ' ' ILE 0.276 22.7 tpp180 -62.61 -23.97 67.33 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 113.298 -1.774 . . . . 2.87 113.509 -177.419 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.9 tp -71.68 -52.06 19.8 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 118.505 -1.278 . . . . 2.04 109.382 170.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -52.21 -53.64 40.96 Favored 'General case' 0 C--O 1.226 -0.145 0 O-C-N 125.562 1.789 . . . . 2.57 110.101 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . 0.365 0.4 OUTLIER -45.0 -59.61 2.5 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 125.641 1.838 . . . . 1.91 110.72 175.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.718 HD11 ' O ' ' A' ' 115' ' ' ARG 0.294 2.2 mp -55.52 -32.94 31.3 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.458 0 C-N-CA 118.697 -1.201 . . . . 1.74 114.065 -179.113 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -73.19 -35.74 66.44 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 115.212 -2.595 . . . . 1.29 110.382 173.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -57.85 -57.25 13.59 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 114.181 -1.372 . . . . 3.62 110.074 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -38.07 -73.07 0.05 Allowed 'General case' 0 CA--C 1.569 1.678 0 C-N-CA 127.411 2.284 . . . . 1.59 110.178 163.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -61.81 -18.01 58.36 Favored 'General case' 0 CA--C 1.566 1.588 0 N-CA-C 115.128 1.529 . . . . 2.49 115.128 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.443 ' HA ' ' SG ' ' A' ' 127' ' ' CYS . 53.9 t80 -94.18 -30.17 14.74 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 123.029 1.395 . . . . 3.27 109.184 -173.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 127' ' ' CYS . 17.9 t -71.11 -60.67 2.1 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 112.042 -2.345 . . . . 1.74 107.29 176.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -76.79 20.13 0.25 Allowed 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 113.856 -1.52 . . . . 5.08 112.512 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 1' ' ' HIS . 1.3 m -47.56 -47.08 28.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.642 -1.163 . . . . 3.22 112.598 173.186 -93.674 172.151 93.936 100.395 2.024 104.005 5.741 -89.881 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.464 ' C ' ' H1 ' ' A' ' 1' ' ' HIS . 44.9 t -61.9 -174.62 0.05 Allowed 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.288 0.993 . . . . 4.29 108.889 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 1 C--O 1.344 6.05 0 N-CA-C 105.489 -2.041 . . . . 6.84 105.489 154.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 127' ' ' CYS . 57.9 m80 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.734 0.642 . . . . 6.9900000000000002 112.734 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -160.31 179.12 8.93 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 108.826 -0.805 . . . . 6.1600000000000001 108.826 165.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.34 146.61 28.58 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 127.082 2.739 . . . . 2.21 106.289 176.825 -89.881 5.741 93.936 104.005 2.024 100.395 172.151 -93.674 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.707 ' H ' HD21 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -108.8 162.33 14.28 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.416 -1.698 . . . . 2.4199999999999999 106.416 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 5' ' ' ILE . 4.2 mm -57.71 -40.53 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 117.126 -1.83 . . . . 2.0499999999999998 109.518 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 10' ' ' ILE . 2.7 m -43.58 -43.7 5.79 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 127.642 2.377 . . . . 1.3400000000000001 113.286 -174.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.707 HD21 ' H ' ' A' ' 4' ' ' ASP 0.294 0.3 OUTLIER -81.03 -30.8 34.78 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 117.965 -1.494 . . . . 2.1600000000000001 111.788 -176.02 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -45.37 93.34 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 119.447 -0.901 . . . . 2.5499999999999998 109.174 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.89 -57.95 8.56 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 125.748 1.905 . . . . 1.79 111.434 170.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' CD1' ' OD1' ' A' ' 89' ' ' ASN . 1.2 mp -45.73 -56.92 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 120.46 -0.496 . . . . 1.1599999999999999 110.542 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.94 -36.08 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 CA-C-N 114.663 -1.153 . . . . 0.87 109.75 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.295 22.7 tttt -60.44 -45.44 93.65 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 116.826 -1.949 . . . . 2.9900000000000002 112.947 171.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 m -63.68 -43.16 97.49 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.749 1.018 . . . . 0.81000000000000005 113.749 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.36 -51.94 67.75 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 124.376 1.048 . . . . 1.5700000000000001 109.501 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -44.76 -64.3 0.73 Allowed 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 111.0 -2.818 . . . . 2.1299999999999999 108.962 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.76 -1.25 6.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.523 0.935 . . . . 1.5700000000000001 113.523 -171.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -92.47 -42.22 9.85 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 119.773 -0.771 . . . . 1.21 111.023 164.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -53.02 -37.39 61.47 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.481 1.113 . . . . 1.8200000000000001 111.114 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -79.46 1.49 25.39 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.016 1.488 . . . . 2.3399999999999999 115.016 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -146.23 41.8 1.17 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.747 1.26 . . . . 2.6800000000000002 109.658 -176.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 25' ' ' THR . 1.8 mttp -111.42 124.58 52.56 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 110.707 -2.951 . . . . 4.2000000000000002 108.193 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.75 -75.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 109.066 -0.716 . . . . 3.6499999999999999 109.066 -167.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.54 -33.72 41.66 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.533 0.938 . . . . 4.79 113.533 -169.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 m -118.39 22.69 11.98 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 113.607 -1.633 . . . . 2.3599999999999999 108.941 -173.124 -50.092 -31.808 -79.633 99.283 2.035 105.831 -132.761 -174.598 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.56 HG22 ' HE3' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -85.67 177.72 7.6 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 112.062 -2.335 . . . . 2.54 106.29 162.355 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 82.49 -41.66 0.12 Allowed 'General case' 0 CA--C 1.554 1.111 0 O-C-N 126.507 2.38 . . . . 4.46 112.898 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -39.14 139.81 0.46 Allowed 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 115.539 1.681 . . . . 1.9299999999999999 115.539 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -72.62 124.44 25.27 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 113.745 -1.57 . . . . 1.26 112.429 -168.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.6 164.52 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 122.829 1.3 . . . . 1.1599999999999999 109.426 174.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 m -58.45 121.97 12.18 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 111.861 -2.427 . . . . 1.1200000000000001 112.335 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -79.72 71.95 6.39 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 121.946 0.879 . . . . 2.3700000000000001 111.313 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.0 pp -73.54 19.55 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 115.598 1.703 . . . . 1.3200000000000001 115.598 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.454 ' CG ' ' HG2' ' A' ' 115' ' ' ARG . 71.6 m-85 -115.8 -15.29 11.31 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 124.466 1.104 . . . . 1.3899999999999999 112.952 -175.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.27 28.57 5.78 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 115.672 1.73 . . . . 2.2999999999999998 115.672 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.24 102.84 3.92 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.122 -1.436 . . . . 3.1299999999999999 107.122 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m 20.28 54.59 0.01 OUTLIER 'General case' 0 C--N 1.355 0.804 0 O-C-N 126.391 2.307 . . . . 4.9000000000000004 112.38 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -84.22 22.33 1.24 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 110.502 -3.044 . . . . 6.6500000000000004 109.804 -172.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.07 4.17 10.78 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 118.643 -1.223 . . . . 3.8399999999999999 111.573 -173.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.424 HG21 ' CD ' ' A' ' 43' ' ' GLU . 3.1 t -50.63 178.35 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 113.342 -1.754 . . . . 1.9399999999999999 111.054 158.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.53 141.88 56.72 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 111.121 -2.763 . . . . 1.3400000000000001 109.548 -170.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.1 -37.94 7.47 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 112.562 -2.108 . . . . 2.1600000000000001 112.449 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -60.42 -40.39 90.88 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 112.088 -2.323 . . . . 3.0699999999999998 111.878 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CD ' HG21 ' A' ' 39' ' ' THR . 35.8 tt0 -67.71 -49.24 63.67 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 114.739 -1.118 . . . . 2.2999999999999998 111.644 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 119' ' ' ILE . 0.3 OUTLIER -49.25 -41.84 38.85 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.429 -1.714 . . . . 0.68000000000000005 109.903 174.264 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 119' ' ' ILE . 13.3 m-30 -71.31 -36.3 71.57 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 118.791 -1.164 . . . . 1.3999999999999999 111.865 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.4 t -61.25 -62.78 1.59 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.063 -1.458 . . . . 1.03 107.063 -178.938 -165.569 -148.529 80.684 98.909 2.032 104.653 124.658 -36.445 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.526 HH12 ' CD ' ' A' ' 103' ' ' GLU 0.308 0.0 OUTLIER -57.66 -30.84 65.76 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 111.474 -2.603 . . . . 3.8900000000000001 113.82 -179.509 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' HB2' HD11 ' A' ' 32' ' ' ILE . . . -75.39 -31.57 60.5 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.222 1.01 . . . . 0.54000000000000004 112.227 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.97 50.9 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.657 -1.156 . . . . 0.59999999999999998 108.473 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 m -47.13 -35.07 6.72 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 125.311 1.632 . . . . 0.78000000000000003 114.608 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.19 -38.03 47.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 C-N-CA 117.44 -1.704 . . . . 1.4399999999999999 111.209 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.56 -31.57 71.61 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.298 -0.41 . . . . 2.1699999999999999 110.575 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -59.9 -66.47 0.51 Allowed 'General case' 0 C--N 1.354 0.783 0 O-C-N 126.735 2.522 . . . . 2.6200000000000001 110.234 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -52.88 -28.73 24.51 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 111.915 -2.402 . . . . 2.7799999999999998 110.587 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -64.3 -79.21 0.04 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 117.852 -1.539 . . . . 1.5700000000000001 110.574 171.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.614 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.5 p90 -57.73 -35.03 70.14 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 118.68 -1.208 . . . . 1.3799999999999999 112.017 -166.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.5 m -82.93 -45.46 14.14 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 126.507 2.379 . . . . 1.47 113.032 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -63.59 -47.27 82.14 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 117.416 -1.714 . . . . 1.6399999999999999 109.395 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -61.74 -64.22 1.01 Allowed 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 111.24 -2.709 . . . . 2.7599999999999998 109.455 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 9.46 -10.71 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.893 1 O-C-N 114.294 -5.254 . . . . 1.9199999999999999 113.647 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -147.55 -120.09 0.06 Allowed 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 122.537 1.161 . . . . 3.3900000000000001 110.453 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . 0.253 8.0 t0 51.2 17.71 0.51 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 129.504 3.122 . . . . 2.7999999999999998 114.774 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 m 57.39 -2.3 0.06 Allowed 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 114.921 -1.036 . . . . 2.5600000000000001 113.215 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -86.25 81.03 8.55 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 119.504 -0.879 . . . . 5.0999999999999996 109.39 -154.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 47.9 t 107.33 1.91 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.657 2.783 . . . . 2.2799999999999998 110.624 -178.047 -174.598 -132.761 -79.633 105.831 2.035 99.283 -31.808 -50.092 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -52.26 -31.23 31.59 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 122.404 1.097 . . . . 2.5499999999999998 112.034 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.34 -12.94 67.78 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 114.249 -1.341 . . . . 2.3900000000000001 112.62 163.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 79.4 -41.45 0.25 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.547 -0.827 . . . . 2.8300000000000001 112.385 170.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.82 67.11 2.83 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.455 0.909 . . . . 2.2000000000000002 113.455 -174.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 9.94 -28.0 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.449 0 CA-C-O 123.735 1.731 . . . . 1.6399999999999999 112.992 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -77.16 -52.49 9.18 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 112.578 -2.101 . . . . 2.5499999999999998 110.924 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -57.42 -29.27 63.99 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.129 -2.305 . . . . 3.6499999999999999 110.019 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -60.34 -38.9 85.21 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 113.592 -1.64 . . . . 2.02 110.263 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.28 -35.88 74.53 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 118.054 -1.459 . . . . 1.8700000000000001 111.218 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -66.53 -47.02 74.24 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 112.847 -1.979 . . . . 2.6099999999999999 109.434 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -47.67 -54.04 13.19 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.29 -1.323 . . . . 1.48 110.57 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -58.35 -44.11 88.65 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 114.161 -1.381 . . . . 3.1899999999999999 110.16 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.28 -53.8 48.78 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.516 0.932 . . . . 2.5099999999999998 113.516 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -60.68 3.45 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.555 -1.276 . . . . 1.96 107.555 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 56' ' ' TYR . 2.3 mt -46.12 -35.04 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.523 0 N-CA-C 113.952 1.093 . . . . 1.5700000000000001 113.952 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.8 ttt85 -72.97 -39.49 66.08 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 122.092 0.949 . . . . 2.8199999999999998 110.607 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -73.96 -38.36 64.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 114.651 -1.159 . . . . 2.2400000000000002 111.47 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.66 -31.94 71.15 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 111.952 -2.385 . . . . 1.3600000000000001 107.328 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -63.09 -43.9 97.24 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 118.406 -1.317 . . . . 1.8500000000000001 111.87 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -56.1 -53.86 51.93 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 116.733 -1.987 . . . . 3.5800000000000001 108.613 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.1 tp -52.32 -40.78 62.33 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 112.448 -2.16 . . . . 0.76000000000000001 113.42 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.87 -62.46 1.63 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 118.584 -1.247 . . . . 1.5 109.447 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -56.87 -22.39 36.63 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 112.169 -2.287 . . . . 3.6299999999999999 113.518 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.502 ' OD1' ' CD1' ' A' ' 10' ' ' ILE . 2.4 t-20 -114.35 -3.89 13.04 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.44 1.114 . . . . 2.6099999999999999 110.84 -172.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.81 -38.16 64.68 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 106.165 -1.791 . . . . 1.25 106.165 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -52.8 -40.23 63.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 117.59 -1.644 . . . . 0.79000000000000004 111.679 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.1 -34.2 80.69 Favored Glycine 0 CA--C 1.55 2.267 0 C-N-CA 118.336 -1.887 . . . . 0.89000000000000001 113.476 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.7 tp -79.2 -27.15 42.55 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 114.041 -1.079 . . . . 1.1100000000000001 110.84 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.59 -63.81 1.21 Allowed 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 113.889 -1.505 . . . . 1.3100000000000001 109.138 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.91 -53.66 0.64 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 108.692 -1.763 . . . . 1.7 108.692 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.424 HD23 ' SG ' ' A' ' 99' ' ' CYS . 5.2 tp -83.43 166.88 18.0 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 113.033 -1.583 . . . . 1.8100000000000001 108.653 -173.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -154.49 53.31 0.67 Allowed 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 125.824 1.952 . . . . 1.73 107.693 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.487 ' C ' ' SG ' ' A' ' 99' ' ' CYS . 30.6 t -163.26 91.91 0.72 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 111.271 -2.695 . . . . 1.8999999999999999 106.763 170.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.487 ' SG ' ' C ' ' A' ' 98' ' ' SER . 3.2 m -158.18 84.74 2.62 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 106.294 -1.743 . . . . 1.98 106.294 -177.151 -36.445 124.658 80.684 104.653 2.032 98.909 -148.529 -165.569 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.93 -114.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.364 1.361 0 N-CA-C 106.252 -2.249 . . . . 3.0499999999999998 106.252 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.74 HG23 ' H ' ' A' ' 102' ' ' LYS . 19.3 m 155.9 -112.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 112.322 -3.751 . . . . 3.9399999999999999 108.229 -175.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.74 ' H ' HG23 ' A' ' 101' ' ' VAL . 1.9 ptmt 126.45 39.19 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 130.001 3.32 . . . . 5.8700000000000001 106.826 163.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' CD ' HH12 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -68.05 128.55 36.94 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 114.762 -2.775 . . . . 2.8399999999999999 107.149 178.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.61 28.29 6.26 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 111.569 -2.56 . . . . 1.77 108.575 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -95.13 173.29 7.64 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 104.305 -2.479 . . . . 2.6200000000000001 104.305 153.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -136.87 152.41 50.21 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 103.122 -2.918 . . . . 2.8999999999999999 103.122 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . 0.44 1.5 t -142.04 -166.89 2.33 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 124.605 1.191 . . . . 1.5 108.037 166.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.1 p -102.72 164.26 11.74 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 125.139 1.525 . . . . 1.3799999999999999 107.002 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 109' ' ' LEU . 2.4 tm? -82.09 -22.76 36.1 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.596 -1.261 . . . . 1.3200000000000001 107.596 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -58.47 -58.69 7.42 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.36 -1.719 . . . . 2.1000000000000001 106.36 171.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -63.94 -30.92 71.96 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 112.943 -1.935 . . . . 1.4099999999999999 111.265 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.78 -42.28 88.62 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 120.399 -1.438 . . . . 1.3700000000000001 111.418 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.519 HD12 ' HZ2' ' A' ' 21' ' ' LYS . 7.0 mt -71.42 -34.71 70.57 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 116.18 -2.208 . . . . 1.73 110.822 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -59.41 4.77 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 126.047 2.092 . . . . 1.4299999999999999 108.681 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.659 ' O ' HD12 ' A' ' 119' ' ' ILE 0.276 22.7 tpp180 -62.61 -23.97 67.33 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 113.298 -1.774 . . . . 2.4700000000000002 113.509 -177.419 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.9 tp -71.68 -52.06 19.8 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 118.505 -1.278 . . . . 1.4299999999999999 109.382 170.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -52.21 -53.64 40.96 Favored 'General case' 0 C--O 1.226 -0.145 0 O-C-N 125.562 1.789 . . . . 2.1600000000000001 110.101 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . 0.365 0.4 OUTLIER -45.0 -59.61 2.5 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 125.641 1.838 . . . . 1.3400000000000001 110.72 175.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 115' ' ' ARG 0.294 2.2 mp -55.52 -32.94 31.3 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.458 0 C-N-CA 118.697 -1.201 . . . . 1.1200000000000001 114.065 -179.113 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -73.19 -35.74 66.44 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 115.212 -2.595 . . . . 0.62 110.382 173.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -57.85 -57.25 13.59 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 114.181 -1.372 . . . . 3.1099999999999999 110.074 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -38.07 -73.07 0.05 Allowed 'General case' 0 CA--C 1.569 1.678 0 C-N-CA 127.411 2.284 . . . . 1.5900000000000001 110.178 163.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -61.81 -18.01 58.36 Favored 'General case' 0 CA--C 1.566 1.588 0 N-CA-C 115.128 1.529 . . . . 2.0299999999999998 115.128 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.451 ' HA ' ' SG ' ' A' ' 127' ' ' CYS . 53.9 t80 -94.18 -30.17 14.74 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 123.029 1.395 . . . . 2.8300000000000001 109.184 -173.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.9 t -71.11 -60.67 2.1 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 112.042 -2.345 . . . . 1.51 107.29 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -76.79 20.13 0.25 Allowed 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 113.856 -1.52 . . . . 4.6900000000000004 112.512 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 1' ' ' HIS . 1.3 m -47.56 -47.08 28.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.642 -1.163 . . . . 3.2000000000000002 112.598 173.186 -93.674 172.151 93.936 100.395 2.024 104.005 5.741 -89.881 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.9 t -61.9 -174.62 0.05 Allowed 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.288 0.993 . . . . 4.0800000000000001 108.889 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 1 C--O 1.344 6.05 0 N-CA-C 105.489 -2.041 . . . . 6.6200000000000001 105.489 154.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.489 ' N ' ' O ' ' A' ' 127' ' ' CYS . 45.1 m-70 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.734 0.642 . . . . 6.9900000000000002 112.734 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -160.31 179.12 8.93 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 108.826 -0.805 . . . . 6.1600000000000001 108.826 165.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -104.34 146.61 28.58 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 127.082 2.739 . . . . 2.21 106.289 176.825 -89.881 5.741 93.936 104.005 2.024 100.395 172.151 -93.674 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.707 ' H ' HD21 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -108.8 162.33 14.28 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.416 -1.698 . . . . 2.4199999999999999 106.416 -179.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 5' ' ' ILE . 4.2 mm -57.71 -40.53 76.04 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.486 0 C-N-CA 117.126 -1.83 . . . . 2.0499999999999998 109.518 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 10' ' ' ILE . 2.7 m -43.58 -43.7 5.79 Favored 'General case' 0 CA--C 1.558 1.267 0 C-N-CA 127.642 2.377 . . . . 1.3400000000000001 113.286 -174.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.707 HD21 ' H ' ' A' ' 4' ' ' ASP 0.294 0.3 OUTLIER -81.03 -30.8 34.78 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 117.965 -1.494 . . . . 2.1600000000000001 111.788 -176.02 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -45.37 93.34 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 119.447 -0.901 . . . . 2.5499999999999998 109.174 176.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.89 -57.95 8.56 Favored 'General case' 0 C--N 1.36 1.033 0 O-C-N 125.748 1.905 . . . . 1.79 111.434 170.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' CD1' ' OD1' ' A' ' 89' ' ' ASN . 1.2 mp -45.73 -56.92 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 120.46 -0.496 . . . . 1.1599999999999999 110.542 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.9 mt -56.94 -36.08 49.23 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.085 0 CA-C-N 114.663 -1.153 . . . . 0.87 109.75 -176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.295 22.7 tttt -60.44 -45.44 93.65 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 116.826 -1.949 . . . . 2.9900000000000002 112.947 171.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 m -63.68 -43.16 97.49 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.749 1.018 . . . . 0.81000000000000005 113.749 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.36 -51.94 67.75 Favored 'General case' 0 CA--C 1.512 -0.494 0 O-C-N 124.376 1.048 . . . . 1.5700000000000001 109.501 178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -44.76 -64.3 0.73 Allowed 'General case' 0 CA--C 1.555 1.154 0 CA-C-N 111.0 -2.818 . . . . 2.1299999999999999 108.962 172.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.76 -1.25 6.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.523 0.935 . . . . 1.5700000000000001 113.523 -171.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.2 mt -92.47 -42.22 9.85 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 119.773 -0.771 . . . . 1.21 111.023 164.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -53.02 -37.39 61.47 Favored 'General case' 0 CA--C 1.55 0.97 0 O-C-N 124.481 1.113 . . . . 1.8200000000000001 111.114 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -79.46 1.49 25.39 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.016 1.488 . . . . 2.3399999999999999 115.016 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -146.23 41.8 1.17 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 122.747 1.26 . . . . 2.6800000000000002 109.658 -176.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 25' ' ' THR . 1.8 mttp -111.42 124.58 52.56 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 110.707 -2.951 . . . . 4.2000000000000002 108.193 -176.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.75 -75.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 109.066 -0.716 . . . . 3.6499999999999999 109.066 -167.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.54 -33.72 41.66 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 113.533 0.938 . . . . 4.79 113.533 -169.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 m -118.39 22.69 11.98 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 113.607 -1.633 . . . . 2.3599999999999999 108.941 -173.124 -50.092 -31.808 -79.633 99.283 2.035 105.831 -132.761 -174.598 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.56 HG22 ' HE3' ' A' ' 21' ' ' LYS . 0.6 OUTLIER -85.67 177.72 7.6 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 112.062 -2.335 . . . . 2.54 106.29 162.355 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 82.49 -41.66 0.12 Allowed 'General case' 0 CA--C 1.554 1.111 0 O-C-N 126.507 2.38 . . . . 4.46 112.898 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 mt -39.14 139.81 0.46 Allowed 'General case' 0 CA--C 1.563 1.473 0 N-CA-C 115.539 1.681 . . . . 1.9299999999999999 115.539 -169.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 p -72.62 124.44 25.27 Favored 'General case' 0 CA--C 1.554 1.131 0 CA-C-N 113.745 -1.57 . . . . 1.26 112.429 -168.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -129.6 164.52 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 122.829 1.3 . . . . 1.1599999999999999 109.426 174.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 m -58.45 121.97 12.18 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 111.861 -2.427 . . . . 1.1200000000000001 112.335 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -79.72 71.95 6.39 Favored 'General case' 0 CA--C 1.555 1.14 0 CA-C-O 121.946 0.879 . . . . 2.3700000000000001 111.313 -174.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.524 ' O ' HD12 ' A' ' 32' ' ' ILE . 2.0 pp -73.54 19.55 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.239 0 N-CA-C 115.598 1.703 . . . . 1.3200000000000001 115.598 -173.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.454 ' CG ' ' HG2' ' A' ' 115' ' ' ARG . 71.6 m-85 -115.8 -15.29 11.31 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 124.466 1.104 . . . . 1.3899999999999999 112.952 -175.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.27 28.57 5.78 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 115.672 1.73 . . . . 2.2999999999999998 115.672 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -144.24 102.84 3.92 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 107.122 -1.436 . . . . 3.1299999999999999 107.122 170.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m 20.28 54.59 0.01 OUTLIER 'General case' 0 C--N 1.355 0.804 0 O-C-N 126.391 2.307 . . . . 4.9000000000000004 112.38 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -84.22 22.33 1.24 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 110.502 -3.044 . . . . 6.6500000000000004 109.804 -172.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -77.07 4.17 10.78 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 118.643 -1.223 . . . . 3.8399999999999999 111.573 -173.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.424 HG21 ' CD ' ' A' ' 43' ' ' GLU . 3.1 t -50.63 178.35 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 113.342 -1.754 . . . . 1.9399999999999999 111.054 158.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.53 141.88 56.72 Favored 'General case' 0 CA--C 1.556 1.204 0 CA-C-N 111.121 -2.763 . . . . 1.3400000000000001 109.548 -170.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -46.1 -37.94 7.47 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 112.562 -2.108 . . . . 2.1600000000000001 112.449 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -60.42 -40.39 90.88 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 112.088 -2.323 . . . . 3.0699999999999998 111.878 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CD ' HG21 ' A' ' 39' ' ' THR . 35.8 tt0 -67.71 -49.24 63.67 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 114.739 -1.118 . . . . 2.2999999999999998 111.644 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 119' ' ' ILE . 0.3 OUTLIER -49.25 -41.84 38.85 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.429 -1.714 . . . . 0.68000000000000005 109.903 174.264 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 119' ' ' ILE . 13.3 m-30 -71.31 -36.3 71.57 Favored 'General case' 0 C--O 1.22 -0.473 0 C-N-CA 118.791 -1.164 . . . . 1.3999999999999999 111.865 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.4 t -61.25 -62.78 1.59 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 107.063 -1.458 . . . . 1.03 107.063 -178.938 -165.569 -148.529 80.684 98.909 2.032 104.653 124.658 -36.445 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.526 HH12 ' CD ' ' A' ' 103' ' ' GLU 0.308 0.0 OUTLIER -57.66 -30.84 65.76 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 111.474 -2.603 . . . . 3.8900000000000001 113.82 -179.509 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.466 ' HB2' HD11 ' A' ' 32' ' ' ILE . . . -75.39 -31.57 60.5 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-O 122.222 1.01 . . . . 0.54000000000000004 112.227 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.97 50.9 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.657 -1.156 . . . . 0.59999999999999998 108.473 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.1 m -47.13 -35.07 6.72 Favored 'General case' 0 C--O 1.245 0.828 0 O-C-N 125.311 1.632 . . . . 0.78000000000000003 114.608 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -74.19 -38.03 47.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.697 0 C-N-CA 117.44 -1.704 . . . . 1.4399999999999999 111.209 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mt -61.56 -31.57 71.61 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.298 -0.41 . . . . 2.1699999999999999 110.575 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -59.9 -66.47 0.51 Allowed 'General case' 0 C--N 1.354 0.783 0 O-C-N 126.735 2.522 . . . . 2.6200000000000001 110.234 175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -52.88 -28.73 24.51 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 111.915 -2.402 . . . . 2.7799999999999998 110.587 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -64.3 -79.21 0.04 OUTLIER 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 117.852 -1.539 . . . . 1.5700000000000001 110.574 171.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.614 ' O ' HD13 ' A' ' 80' ' ' ILE . 2.5 p90 -57.73 -35.03 70.14 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 118.68 -1.208 . . . . 1.3799999999999999 112.017 -166.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.5 m -82.93 -45.46 14.14 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 126.507 2.379 . . . . 1.47 113.032 -173.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -63.59 -47.27 82.14 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 117.416 -1.714 . . . . 1.6399999999999999 109.395 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -61.74 -64.22 1.01 Allowed 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 111.24 -2.709 . . . . 2.7599999999999998 109.455 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 9.46 -10.71 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.893 1 O-C-N 114.294 -5.254 . . . . 1.9199999999999999 113.647 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -147.55 -120.09 0.06 Allowed 'General case' 0 CA--C 1.569 1.703 0 CA-C-O 122.537 1.161 . . . . 3.3900000000000001 110.453 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . 0.253 8.0 t0 51.2 17.71 0.51 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 129.504 3.122 . . . . 2.7999999999999998 114.774 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 m 57.39 -2.3 0.06 Allowed 'General case' 0 CA--C 1.559 1.306 0 CA-C-N 114.921 -1.036 . . . . 2.5600000000000001 113.215 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -86.25 81.03 8.55 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 119.504 -0.879 . . . . 5.0999999999999996 109.39 -154.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.427 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 47.9 t 107.33 1.91 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.657 2.783 . . . . 2.2799999999999998 110.624 -178.047 -174.598 -132.761 -79.633 105.831 2.035 99.283 -31.808 -50.092 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -52.26 -31.23 31.59 Favored 'General case' 0 CA--C 1.559 1.301 0 CA-C-O 122.404 1.097 . . . . 2.5499999999999998 112.034 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.34 -12.94 67.78 Favored Glycine 0 C--N 1.344 0.985 0 CA-C-N 114.249 -1.341 . . . . 2.3900000000000001 112.62 163.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 79.4 -41.45 0.25 Allowed 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.547 -0.827 . . . . 2.8300000000000001 112.385 170.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.82 67.11 2.83 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.455 0.909 . . . . 2.2000000000000002 113.455 -174.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 9.94 -28.0 0.0 OUTLIER 'General case' 0 CA--C 1.563 1.449 0 CA-C-O 123.735 1.731 . . . . 1.6399999999999999 112.992 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -77.16 -52.49 9.18 Favored 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 112.578 -2.101 . . . . 2.5499999999999998 110.924 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -57.42 -29.27 63.99 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 112.129 -2.305 . . . . 3.6499999999999999 110.019 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -60.34 -38.9 85.21 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 113.592 -1.64 . . . . 2.02 110.263 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.28 -35.88 74.53 Favored 'General case' 0 CA--C 1.557 1.249 0 C-N-CA 118.054 -1.459 . . . . 1.8700000000000001 111.218 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.0 ttm-85 -66.53 -47.02 74.24 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 112.847 -1.979 . . . . 2.6099999999999999 109.434 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -47.67 -54.04 13.19 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 114.29 -1.323 . . . . 1.48 110.57 177.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -58.35 -44.11 88.65 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 114.161 -1.381 . . . . 3.1899999999999999 110.16 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -54.28 -53.8 48.78 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.516 0.932 . . . . 2.5099999999999998 113.516 -178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.53 -60.68 3.45 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.555 -1.276 . . . . 1.96 107.555 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 56' ' ' TYR . 2.3 mt -46.12 -35.04 2.14 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.523 0 N-CA-C 113.952 1.093 . . . . 1.5700000000000001 113.952 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 51.8 ttt85 -72.97 -39.49 66.08 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 122.092 0.949 . . . . 2.8199999999999998 110.607 -179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -73.96 -38.36 64.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 114.651 -1.159 . . . . 2.2400000000000002 111.47 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 59.5 mt -60.66 -31.94 71.15 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 111.952 -2.385 . . . . 1.3600000000000001 107.328 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -63.09 -43.9 97.24 Favored 'General case' 0 C--N 1.351 0.654 0 C-N-CA 118.406 -1.317 . . . . 1.8500000000000001 111.87 171.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -56.1 -53.86 51.93 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 116.733 -1.987 . . . . 3.5800000000000001 108.613 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.1 tp -52.32 -40.78 62.33 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 112.448 -2.16 . . . . 0.76000000000000001 113.42 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.87 -62.46 1.63 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 118.584 -1.247 . . . . 1.5 109.447 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -56.87 -22.39 36.63 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 112.169 -2.287 . . . . 3.6299999999999999 113.518 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.502 ' OD1' ' CD1' ' A' ' 10' ' ' ILE . 2.4 t-20 -114.35 -3.89 13.04 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 122.44 1.114 . . . . 2.6099999999999999 110.84 -172.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.81 -38.16 64.68 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 106.165 -1.791 . . . . 1.25 106.165 168.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 76.7 m95 -52.8 -40.23 63.06 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 117.59 -1.644 . . . . 0.79000000000000004 111.679 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -68.1 -34.2 80.69 Favored Glycine 0 CA--C 1.55 2.267 0 C-N-CA 118.336 -1.887 . . . . 0.89000000000000001 113.476 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.7 tp -79.2 -27.15 42.55 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 114.041 -1.079 . . . . 1.1100000000000001 110.84 -175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.59 -63.81 1.21 Allowed 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 113.889 -1.505 . . . . 1.3100000000000001 109.138 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.91 -53.66 0.64 Allowed Glycine 0 C--N 1.345 1.075 0 N-CA-C 108.692 -1.763 . . . . 1.7 108.692 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.424 HD23 ' SG ' ' A' ' 99' ' ' CYS . 5.2 tp -83.43 166.88 18.0 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 113.033 -1.583 . . . . 1.8100000000000001 108.653 -173.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -154.49 53.31 0.67 Allowed 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 125.824 1.952 . . . . 1.73 107.693 178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.487 ' C ' ' SG ' ' A' ' 99' ' ' CYS . 30.6 t -163.26 91.91 0.72 Allowed 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 111.271 -2.695 . . . . 1.8999999999999999 106.763 170.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.487 ' SG ' ' C ' ' A' ' 98' ' ' SER . 3.2 m -158.18 84.74 2.62 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 106.294 -1.743 . . . . 1.98 106.294 -177.151 -36.445 124.658 80.684 104.653 2.032 98.909 -148.529 -165.569 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.93 -114.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.364 1.361 0 N-CA-C 106.252 -2.249 . . . . 3.0499999999999998 106.252 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.74 HG23 ' H ' ' A' ' 102' ' ' LYS . 19.3 m 155.9 -112.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 112.322 -3.751 . . . . 3.9399999999999999 108.229 -175.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.74 ' H ' HG23 ' A' ' 101' ' ' VAL . 1.9 ptmt 126.45 39.19 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.301 0 C-N-CA 130.001 3.32 . . . . 5.8700000000000001 106.826 163.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.526 ' CD ' HH12 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -68.05 128.55 36.94 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 114.762 -2.775 . . . . 2.8399999999999999 107.149 178.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -125.61 28.29 6.26 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 111.569 -2.56 . . . . 1.77 108.575 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -95.13 173.29 7.64 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 104.305 -2.479 . . . . 2.6200000000000001 104.305 153.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -136.87 152.41 50.21 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 103.122 -2.918 . . . . 2.8999999999999999 103.122 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . 0.44 1.5 t -142.04 -166.89 2.33 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 124.605 1.191 . . . . 1.5 108.037 166.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 16.1 p -102.72 164.26 11.74 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 125.139 1.525 . . . . 1.3799999999999999 107.002 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 109' ' ' LEU . 2.4 tm? -82.09 -22.76 36.1 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 107.596 -1.261 . . . . 1.3200000000000001 107.596 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -58.47 -58.69 7.42 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.36 -1.719 . . . . 2.1000000000000001 106.36 171.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -63.94 -30.92 71.96 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 112.943 -1.935 . . . . 1.4099999999999999 111.265 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.78 -42.28 88.62 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 120.399 -1.438 . . . . 1.3700000000000001 111.418 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.519 HD12 ' HZ2' ' A' ' 21' ' ' LYS . 7.0 mt -71.42 -34.71 70.57 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 116.18 -2.208 . . . . 1.73 110.822 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.26 -59.41 4.77 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 126.047 2.092 . . . . 1.4299999999999999 108.681 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.659 ' O ' HD12 ' A' ' 119' ' ' ILE 0.276 22.7 tpp180 -62.61 -23.97 67.33 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 113.298 -1.774 . . . . 2.4700000000000002 113.509 -177.419 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 17.9 tp -71.68 -52.06 19.8 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 118.505 -1.278 . . . . 1.4299999999999999 109.382 170.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -52.21 -53.64 40.96 Favored 'General case' 0 C--O 1.226 -0.145 0 O-C-N 125.562 1.789 . . . . 2.1600000000000001 110.101 -174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . 0.365 0.4 OUTLIER -45.0 -59.61 2.5 Favored 'General case' 0 CA--C 1.553 1.089 0 O-C-N 125.641 1.838 . . . . 1.3400000000000001 110.72 175.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 115' ' ' ARG 0.294 2.2 mp -55.52 -32.94 31.3 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.458 0 C-N-CA 118.697 -1.201 . . . . 1.1200000000000001 114.065 -179.113 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -73.19 -35.74 66.44 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 115.212 -2.595 . . . . 0.62 110.382 173.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -57.85 -57.25 13.59 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 114.181 -1.372 . . . . 3.1099999999999999 110.074 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -38.07 -73.07 0.05 Allowed 'General case' 0 CA--C 1.569 1.678 0 C-N-CA 127.411 2.284 . . . . 1.5900000000000001 110.178 163.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -61.81 -18.01 58.36 Favored 'General case' 0 CA--C 1.566 1.588 0 N-CA-C 115.128 1.529 . . . . 2.0299999999999998 115.128 -172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.451 ' HA ' ' SG ' ' A' ' 127' ' ' CYS . 53.9 t80 -94.18 -30.17 14.74 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 123.029 1.395 . . . . 2.8300000000000001 109.184 -173.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.9 t -71.11 -60.67 2.1 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 112.042 -2.345 . . . . 1.51 107.29 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -76.79 20.13 0.25 Allowed 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 113.856 -1.52 . . . . 4.6900000000000004 112.512 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 1' ' ' HIS . 1.3 m -47.56 -47.08 28.39 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.642 -1.163 . . . . 3.2000000000000002 112.598 173.186 -93.674 172.151 93.936 100.395 2.024 104.005 5.741 -89.881 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.9 t -61.9 -174.62 0.05 Allowed 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.288 0.993 . . . . 4.0800000000000001 108.889 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 1 C--O 1.344 6.05 0 N-CA-C 105.489 -2.041 . . . . 6.6200000000000001 105.489 154.699 . . . . . . . . 2 2 . 1 stop_ save_