data_1kvv_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 1kvv _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mtp . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.243 0.544 . . . . 4.93 109.789 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' CB ' ' CB ' ' A' ' 71' ' ' ARG . 46.9 mttt -117.87 -155.85 0.61 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.258 -0.901 . . . . 5.1 109.952 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.0 mp0 -128.7 137.15 51.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.774 -1.204 . . . . 2.5 112.151 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.457 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 7.2 t -134.83 139.67 45.26 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.54 -0.725 . . . . 1.76 109.315 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.34 125.43 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.858 -1.151 . . . . 2.15 110.713 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 66' ' ' VAL . 43.3 t -131.33 139.66 50.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 108.982 -0.747 . . . . 1.27 108.982 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.486 ' CD1' ' N ' ' A' ' 7' ' ' TRP . 37.1 m0 -95.06 167.76 11.19 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 120.384 -1.447 . . . . 3.64 109.228 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.447 ' HB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -68.25 -35.13 77.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.171 -0.955 . . . . 1.73 109.406 178.639 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 10' ' ' ASN . 18.1 m -65.76 -39.18 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.658 -0.651 . . . . 2.2 112.593 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.457 ' ND2' ' HD3' ' A' ' 22' ' ' ARG . 87.4 m-20 -49.72 -56.28 10.81 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.64 -1.287 . . . . 3.03 111.345 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.436 ' HA ' HG23 ' A' ' 23' ' ' ILE . 22.4 tp -68.7 -1.66 7.47 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.086 -1.009 . . . . 2.22 112.028 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -93.45 125.03 37.83 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.549 -1.345 . . . . 1.62 111.233 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -70.51 -39.88 73.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.283 -0.886 . . . . 1.99 110.362 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -56.05 -20.03 15.3 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.491 -0.756 . . . . 3.55 110.911 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -92.05 111.73 23.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 4.29 109.682 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.6 m -69.54 175.94 3.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.133 -0.98 . . . . 2.04 110.735 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -52.85 -40.27 63.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.435 -0.79 . . . . 4.58 110.327 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.93 93.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.129 -0.982 . . . . 1.73 108.971 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.4 -29.12 69.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.496 -0.752 . . . . 2.47 109.915 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.75 71.54 0.38 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.058 -1.617 . . . . 1.88 109.058 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -113.15 126.18 55.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -1.068 . . . . 4.16 111.095 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HD3' ' ND2' ' A' ' 10' ' ' ASN . 12.0 mtp180 -130.12 10.35 5.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.492 -0.755 . . . . 2.38 109.722 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 9.2 tp -113.0 143.86 29.96 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.262 -0.899 . . . . 2.23 109.89 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.495 ' CD ' HD12 ' A' ' 79' ' ' ILE . 45.6 Cg_endo -71.13 146.7 52.46 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.444 1.234 . . . . 1.72 110.059 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -60.02 -28.91 68.13 Favored 'General case' 0 C--N 1.286 -2.188 0 CA-C-N 115.745 -0.661 . . . . 4.25 111.527 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -58.53 -40.76 83.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.052 -1.03 . . . . 4.04 112.173 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -118.62 14.63 13.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.531 -1.356 . . . . 2.34 111.152 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 143.25 44.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.236 -0.915 . . . . 1.47 111.147 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 29' ' ' VAL . 32.2 m -105.36 112.98 64.83 Favored Pre-proline 0 N--CA 1.491 1.579 0 N-CA-C 108.847 -0.797 . . . . 2.38 108.847 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 31' ' ' ASN . 38.9 Cg_endo -65.58 131.02 26.51 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.158 1.083 . . . . 0.98 109.664 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 25.9 t-20 72.58 110.26 0.07 Allowed 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 109.114 -0.698 . . . . 2.46 109.114 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.447 HG11 ' HB ' ' A' ' 8' ' ' THR . 24.5 m -62.86 144.32 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.297 -0.877 . . . . 3.46 110.303 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.596 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 30.4 ttmt -127.02 113.36 16.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.18 -0.95 . . . . 2.34 111.468 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -54.13 -41.42 68.36 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.571 -1.331 . . . . 1.51 108.814 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 73.2 m80 -57.08 -36.7 70.89 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.964 -0.694 . . . . 2.87 110.017 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.596 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -76.93 -48.34 18.47 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.936 -1.106 . . . . 1.94 111.63 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' O ' ' CZ ' ' A' ' 48' ' ' PHE . 20.8 mt -62.62 -54.95 31.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.894 -1.129 . . . . 2.36 112.704 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.88 -51.8 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.737 -1.227 . . . . 1.92 110.344 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 35' ' ' HIS . 78.0 tt0 -53.49 -27.6 26.22 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.154 -0.966 . . . . 2.44 111.565 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' N ' HD13 ' A' ' 88' ' ' ILE . . . -66.52 -51.23 58.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.971 -1.081 . . . . 1.19 109.977 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.502 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -61.28 -35.31 76.97 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.471 -0.768 . . . . 1.77 110.396 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -58.89 -34.87 72.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.361 -0.837 . . . . 3.36 110.163 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.2 -33.99 73.01 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.587 -0.695 . . . . 2.27 111.124 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.92 -5.32 21.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.989 -1.069 . . . . 2.5 111.084 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . 66.5 -3.88 3.25 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 121.053 -1.029 . . . . 1.15 112.311 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 6.5 tp 178.96 96.59 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 119.109 1.455 . . . . 2.29 110.522 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -149.08 -42.48 0.15 Allowed 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 107.484 -1.302 . . . . 2.01 107.484 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 68' ' ' VAL . 0.8 OUTLIER -144.87 173.99 11.39 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.601 -0.889 . . . . 2.76 108.601 178.092 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 67' ' ' VAL . 15.1 ttm180 -139.47 142.52 37.36 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.047 -1.033 . . . . 3.5 109.075 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.43 126.48 38.59 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.798 -1.161 . . . . 1.33 110.429 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -106.87 159.54 16.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.718 -0.614 . . . . 2.92 109.805 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -129.79 145.87 51.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.009 -1.057 . . . . 3.12 109.238 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -43.59 153.51 0.11 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.49 -0.756 . . . . 6.01 110.795 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -53.3 -35.24 59.91 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.379 -0.826 . . . . 7.5 111.131 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -127.8 101.07 23.85 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.019 -1.05 . . . . 7.86 110.475 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -67.58 -22.08 44.97 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 O-C-N 123.658 1.346 . . . . 7.1 110.636 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -70.7 70.99 0.48 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.179 -0.95 . . . . 8.49 109.253 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -155.79 166.34 33.8 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.416 -0.914 . . . . 7.1 110.793 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -117.15 167.3 11.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.447 -0.783 . . . . 8.84 109.575 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 57.5 77.84 0.26 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 9.12 109.996 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 42.5 tt0 -142.42 163.46 32.78 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.531 0.682 . . . . 5.57 110.249 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 73.8 mm-40 -84.14 9.31 13.0 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.487 -0.758 . . . . 5.33 111.342 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.1 -85.15 1.04 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.355 -1.098 . . . . 2.68 110.355 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.42 ' O ' ' OG1' ' A' ' 8' ' ' THR . . . -156.93 177.13 33.98 Favored Glycine 0 N--CA 1.492 2.385 0 C-N-CA 119.399 -1.381 . . . . 1.66 110.896 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.466 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 39.2 ttm180 -120.91 154.8 35.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.806 -0.82 . . . . 3.02 109.814 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' HB ' ' CE1' ' A' ' 48' ' ' PHE . 27.4 m -124.86 143.68 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 120.763 -1.211 . . . . 1.54 111.309 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 4' ' ' SER . 63.3 t -119.49 135.25 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.939 -1.1 . . . . 1.96 108.759 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 21.9 t -114.06 134.93 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.73 -1.231 . . . . 1.75 111.449 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 87.6 mt-10 -79.47 113.77 17.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 118.738 -1.185 . . . . 2.4 108.235 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.474 ' CD ' ' CD1' ' A' ' 77' ' ' LEU . 3.5 mttt -178.13 -61.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.415 -0.958 . . . . 2.75 108.415 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' CB ' ' CB ' ' A' ' 2' ' ' LYS . 13.1 ttt-85 53.86 170.49 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.408 0.623 . . . . 5.61 110.83 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.61 -54.42 4.92 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.557 -1.417 . . . . 1.37 109.557 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.457 ' OG1' ' HB2' ' A' ' 76' ' ' LYS . 12.6 t -94.93 165.57 12.39 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.377 -1.072 . . . . 3.46 110.005 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -121.15 -94.9 0.49 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.978 -1.076 . . . . 4.39 111.36 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.485 ' O ' HG12 ' A' ' 79' ' ' ILE . 10.0 m -60.87 -38.58 86.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.812 -1.18 . . . . 1.26 110.966 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.457 ' HB2' ' OG1' ' A' ' 73' ' ' THR . 70.5 mttt -51.19 -46.15 62.05 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.85 -1.14 . . . . 3.5 108.795 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.474 ' CD1' ' CD ' ' A' ' 70' ' ' LYS . 11.9 tp -55.93 -43.66 77.63 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.723 -1.214 . . . . 2.99 107.723 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.451 ' HB2' ' O ' ' A' ' 75' ' ' THR . 63.2 mtt -62.28 -40.77 97.36 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.536 -1.283 . . . . 1.88 107.536 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.495 HD12 ' CD ' ' A' ' 24' ' ' PRO . 14.1 mm -60.31 -46.71 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 118.895 -1.122 . . . . 1.58 108.03 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 83' ' ' ARG . 74.6 mm-40 -65.17 -49.12 71.04 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.366 -0.934 . . . . 2.38 108.843 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.442 ' HG ' ' CD1' ' A' ' 85' ' ' ILE . 14.1 tp -58.07 -43.32 86.9 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.946 -1.096 . . . . 1.2 108.657 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 86' ' ' ALA . . . -63.76 -34.73 78.54 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.946 -1.096 . . . . 1.09 108.289 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' ' 80' ' ' GLU . 72.3 ttt180 -56.07 -45.98 79.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.227 -0.921 . . . . 2.91 109.073 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -72.77 -47.43 46.77 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.242 -0.911 . . . . 2.51 109.351 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' CG2' ' HG3' ' A' ' 36' ' ' GLU . 63.5 mt -61.15 -39.33 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.698 -0.626 . . . . 1.79 110.914 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . -60.88 -38.6 86.21 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.353 -0.842 . . . . 1.11 109.849 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 90' ' ' GLU . 84.2 tt0 -59.82 -54.52 45.31 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.17 -1.412 . . . . 2.39 107.753 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.527 ' CG2' ' HA ' ' A' ' 36' ' ' GLU . 44.2 mt -56.0 -41.78 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 118.899 -1.12 . . . . 1.95 110.444 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -57.24 -45.47 83.89 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 106.875 -1.528 . . . . 1.95 106.875 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 51.4 tp10 -61.66 -31.34 71.45 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.338 -0.846 . . . . 2.19 109.939 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 90.8 mt-30 -60.5 -39.26 87.11 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 118.842 -1.143 . . . . 2.36 108.445 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 95' ' ' GLN . 43.7 tttt -64.93 -29.03 69.95 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.825 0.821 . . . . 3.2 109.452 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -72.51 -46.7 53.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.559 -0.713 . . . . 3.7 109.899 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.453 ' O ' ' CE ' ' A' ' 99' ' ' LYS . 51.5 tp10 -60.02 -39.43 85.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.642 -0.661 . . . . 2.75 110.745 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 92' ' ' LYS . 18.3 mt-30 -126.45 134.7 50.9 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.093 -1.077 . . . . 6.03 108.093 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.61 39.89 3.51 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.612 -1.305 . . . . 8.41 111.847 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 97' ' ' LYS . 50.9 tttm 52.21 19.99 1.23 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.839 -1.163 . . . . 10.21 109.858 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -138.71 -45.38 0.49 Allowed 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.294 -1.002 . . . . 6.38 108.294 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 94' ' ' GLU . 2.2 mtmt -62.59 -34.14 76.4 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.574 -0.85 . . . . 6.93 109.509 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -96.91 -23.9 16.11 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.61 0.719 . . . . 8.18 110.152 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.1 -46.97 82.14 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.438 -0.789 . . . . 8.57 110.451 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -99.83 112.38 24.64 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.699 -0.852 . . . . 10.39 108.699 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 104' ' ' LYS . 22.4 mttp -105.01 105.95 16.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.973 -1.079 . . . . 10.67 110.24 -178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 103' ' ' LYS . 8.8 ptmt . . . . . 0 C--N 1.298 -1.633 0 CA-C-O 117.938 -1.03 . . . . 12.06 109.982 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mtp . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.243 0.544 . . . . 4.6100000000000003 109.789 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 71' ' ' ARG . 46.9 mttt -117.87 -155.85 0.61 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.258 -0.901 . . . . 4.6799999999999997 109.952 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.0 mp0 -128.7 137.15 51.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.774 -1.204 . . . . 2.5 112.151 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.652 ' O ' HG13 ' A' ' 67' ' ' VAL . 7.2 t -134.83 139.67 45.26 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.54 -0.725 . . . . 1.3200000000000001 109.315 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.34 125.43 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.858 -1.151 . . . . 1.5600000000000001 110.713 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' A' ' 66' ' ' VAL . 43.3 t -131.33 139.66 50.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 108.982 -0.747 . . . . 0.64000000000000001 108.982 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.486 ' N ' ' CD1' ' A' ' 7' ' ' TRP . 37.1 m0 -95.06 167.76 11.19 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 120.384 -1.447 . . . . 2.7599999999999998 109.228 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.482 HG22 ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -68.25 -35.13 77.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.171 -0.955 . . . . 1.1000000000000001 109.406 178.639 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 10' ' ' ASN . 18.1 m -65.76 -39.18 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.658 -0.651 . . . . 1.6100000000000001 112.593 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.515 ' O ' HG22 ' A' ' 23' ' ' ILE . 7.5 m120 -49.72 -56.28 10.81 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.64 -1.287 . . . . 2.3999999999999999 111.345 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 23' ' ' ILE . 22.4 tp -68.7 -1.66 7.47 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.086 -1.009 . . . . 1.73 112.028 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' OD2' ' HG2' ' A' ' 15' ' ' LYS . 66.3 t0 -93.45 125.03 37.83 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.549 -1.345 . . . . 1.6200000000000001 111.233 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -70.51 -39.88 73.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.283 -0.886 . . . . 1.6299999999999999 110.362 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -56.05 -20.03 15.3 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.491 -0.756 . . . . 3.0800000000000001 110.911 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HG2' ' OD2' ' A' ' 12' ' ' ASP . 70.1 mmtt -92.05 111.73 23.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 3.9199999999999999 109.682 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.6 m -69.54 175.94 3.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.133 -0.98 . . . . 1.76 110.735 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -52.85 -40.27 63.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.435 -0.79 . . . . 4.0300000000000002 110.327 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.93 93.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.129 -0.982 . . . . 1.3100000000000001 108.971 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.4 -29.12 69.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.496 -0.752 . . . . 2.4700000000000002 109.915 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.75 71.54 0.38 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.058 -1.617 . . . . 1.49 109.058 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 40.7 ttt180 -113.15 126.18 55.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -1.068 . . . . 3.46 111.095 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -130.12 10.35 5.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.492 -0.755 . . . . 2.02 109.722 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.782 HG12 HD12 ' A' ' 11' ' ' LEU . 9.2 tp -113.0 143.86 29.96 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.262 -0.899 . . . . 1.6699999999999999 109.89 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.623 ' HG3' HD11 ' A' ' 79' ' ' ILE . 45.6 Cg_endo -71.13 146.7 52.46 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.444 1.234 . . . . 1.47 110.059 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -60.02 -28.91 68.13 Favored 'General case' 0 C--N 1.286 -2.188 0 CA-C-N 115.745 -0.661 . . . . 3.5899999999999999 111.527 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -58.53 -40.76 83.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.052 -1.03 . . . . 3.48 112.173 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -118.62 14.63 13.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.531 -1.356 . . . . 2.02 111.152 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 143.25 44.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.236 -0.915 . . . . 0.87 111.147 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.659 HG22 ' HG ' ' A' ' 11' ' ' LEU . 32.2 m -105.36 112.98 64.83 Favored Pre-proline 0 N--CA 1.491 1.579 0 N-CA-C 108.847 -0.797 . . . . 1.76 108.847 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 31' ' ' ASN . 38.9 Cg_endo -65.58 131.02 26.51 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.158 1.083 . . . . 0.90000000000000002 109.664 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 25.9 t-20 72.58 110.26 0.07 Allowed 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 109.114 -0.698 . . . . 2.1400000000000001 109.114 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG11 ' HB ' ' A' ' 8' ' ' THR . 24.5 m -62.86 144.32 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.297 -0.877 . . . . 2.7999999999999998 110.303 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 30.4 ttmt -127.02 113.36 16.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.18 -0.95 . . . . 1.8700000000000001 111.468 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -54.13 -41.42 68.36 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.571 -1.331 . . . . 0.88 108.814 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 73.2 m80 -57.08 -36.7 70.89 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.964 -0.694 . . . . 2.1600000000000001 110.017 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.905 ' HG3' HG23 ' A' ' 85' ' ' ILE . 6.2 pt-20 -76.93 -48.34 18.47 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.936 -1.106 . . . . 1.9399999999999999 111.63 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.762 HD22 HG11 ' A' ' 66' ' ' VAL . 20.8 mt -62.62 -54.95 31.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.894 -1.129 . . . . 1.75 112.704 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.88 -51.8 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.737 -1.227 . . . . 1.3200000000000001 110.344 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' OE1' HG23 ' A' ' 88' ' ' ILE . 78.0 tt0 -53.49 -27.6 26.22 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.154 -0.966 . . . . 2.4399999999999999 111.565 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 88' ' ' ILE . . . -66.52 -51.23 58.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.971 -1.081 . . . . 0.53000000000000003 109.977 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.534 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -61.28 -35.31 76.97 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.471 -0.768 . . . . 1.3700000000000001 110.396 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -58.89 -34.87 72.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.361 -0.837 . . . . 3.0099999999999998 110.163 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.2 -33.99 73.01 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.587 -0.695 . . . . 2.27 111.124 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.587 HD13 ' HD3' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -104.92 -5.32 21.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.989 -1.069 . . . . 1.97 111.084 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . 66.5 -3.88 3.25 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 121.053 -1.029 . . . . 1.02 112.311 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 6.5 tp 178.96 96.59 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 119.109 1.455 . . . . 1.7 110.522 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HD3' HD13 ' A' ' 44' ' ' LEU . 29.9 ttpt -149.08 -42.48 0.15 Allowed 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 107.484 -1.302 . . . . 1.52 107.484 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.63 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -144.87 173.99 11.39 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.601 -0.889 . . . . 1.98 108.601 178.092 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 67' ' ' VAL . 15.1 ttm180 -139.47 142.52 37.36 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.047 -1.033 . . . . 2.98 109.075 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.43 126.48 38.59 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.798 -1.161 . . . . 0.94999999999999996 110.429 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.663 ' OE2' HG21 ' A' ' 67' ' ' VAL . 85.6 mt-10 -106.87 159.54 16.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.718 -0.614 . . . . 2.9199999999999999 109.805 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -129.79 145.87 51.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.009 -1.057 . . . . 3.1200000000000001 109.238 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -43.59 153.51 0.11 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.49 -0.756 . . . . 5.5800000000000001 110.795 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -53.3 -35.24 59.91 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.379 -0.826 . . . . 7.0899999999999999 111.131 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 30.2 m-85 -127.8 101.07 23.85 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.019 -1.05 . . . . 7.6299999999999999 110.475 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 55' ' ' TYR . 43.5 Cg_endo -67.58 -22.08 44.97 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 O-C-N 123.658 1.346 . . . . 6.4900000000000002 110.636 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -70.7 70.99 0.48 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.179 -0.95 . . . . 8.2100000000000009 109.253 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -155.79 166.34 33.8 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.416 -0.914 . . . . 6.8499999999999996 110.793 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -117.15 167.3 11.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.447 -0.783 . . . . 8.2300000000000004 109.575 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 57.5 77.84 0.26 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 8.4100000000000001 109.996 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 42.5 tt0 -142.42 163.46 32.78 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.531 0.682 . . . . 5.5700000000000003 110.249 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 73.8 mm-40 -84.14 9.31 13.0 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.487 -0.758 . . . . 5.0800000000000001 111.342 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.1 -85.15 1.04 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.355 -1.098 . . . . 2.0699999999999998 110.355 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.93 177.13 33.98 Favored Glycine 0 N--CA 1.492 2.385 0 C-N-CA 119.399 -1.381 . . . . 0.98999999999999999 110.896 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 39.2 ttm180 -120.91 154.8 35.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.806 -0.82 . . . . 2.6499999999999999 109.814 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.762 HG11 HD22 ' A' ' 37' ' ' LEU . 27.4 m -124.86 143.68 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 120.763 -1.211 . . . . 0.93999999999999995 111.309 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.663 HG21 ' OE2' ' A' ' 51' ' ' GLU . 63.3 t -119.49 135.25 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.939 -1.1 . . . . 1.3700000000000001 108.759 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 77' ' ' LEU . 21.9 t -114.06 134.93 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.73 -1.231 . . . . 1.1899999999999999 111.449 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 87.6 mt-10 -79.47 113.77 17.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 118.738 -1.185 . . . . 2.3999999999999999 108.235 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.973 ' CD ' HD13 ' A' ' 77' ' ' LEU . 3.5 mttt -178.13 -61.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.415 -0.958 . . . . 2.2799999999999998 108.415 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 2' ' ' LYS . 13.1 ttt-85 53.86 170.49 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.408 0.623 . . . . 5.04 110.83 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.61 -54.42 4.92 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.557 -1.417 . . . . 1.3 109.557 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 76' ' ' LYS . 12.6 t -94.93 165.57 12.39 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.377 -1.072 . . . . 3.0499999999999998 110.005 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -121.15 -94.9 0.49 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.978 -1.076 . . . . 4.0300000000000002 111.36 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 79' ' ' ILE . 10.0 m -60.87 -38.58 86.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.812 -1.18 . . . . 0.93999999999999995 110.966 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HB2' ' OG1' ' A' ' 73' ' ' THR . 70.5 mttt -51.19 -46.15 62.05 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.85 -1.14 . . . . 3.04 108.795 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 68' ' ' VAL . 11.9 tp -55.93 -43.66 77.63 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.723 -1.214 . . . . 2.4199999999999999 107.723 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.453 ' HB3' HD13 ' A' ' 23' ' ' ILE . 63.2 mtt -62.28 -40.77 97.36 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.536 -1.283 . . . . 1.22 107.536 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 24' ' ' PRO . 14.1 mm -60.31 -46.71 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 118.895 -1.122 . . . . 0.89000000000000001 108.03 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 83' ' ' ARG . 74.6 mm-40 -65.17 -49.12 71.04 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.366 -0.934 . . . . 2.3799999999999999 108.843 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.452 ' HG ' ' CD1' ' A' ' 85' ' ' ILE . 14.1 tp -58.07 -43.32 86.9 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.946 -1.096 . . . . 0.52000000000000002 108.657 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -63.76 -34.73 78.54 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.946 -1.096 . . . . 0.32000000000000001 108.289 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 80' ' ' GLU . 72.3 ttt180 -56.07 -45.98 79.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.227 -0.921 . . . . 2.4300000000000002 109.073 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -72.77 -47.43 46.77 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.242 -0.911 . . . . 2.0099999999999998 109.351 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.905 HG23 ' HG3' ' A' ' 36' ' ' GLU . 63.5 mt -61.15 -39.33 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.698 -0.626 . . . . 1.1399999999999999 110.914 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.6 86.21 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.353 -0.842 . . . . 0.37 109.849 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 90' ' ' GLU . 84.2 tt0 -59.82 -54.52 45.31 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.17 -1.412 . . . . 2.3900000000000001 107.753 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.672 HG21 ' HA ' ' A' ' 36' ' ' GLU . 44.2 mt -56.0 -41.78 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 118.899 -1.12 . . . . 1.3300000000000001 110.444 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -57.24 -45.47 83.89 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 106.875 -1.528 . . . . 1.5800000000000001 106.875 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 51.4 tp10 -61.66 -31.34 71.45 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.338 -0.846 . . . . 2.1899999999999999 109.939 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 90.8 mt-30 -60.5 -39.26 87.11 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 118.842 -1.143 . . . . 2.0299999999999998 108.445 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 95' ' ' GLN . 43.7 tttt -64.93 -29.03 69.95 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.825 0.821 . . . . 2.7200000000000002 109.452 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.406 ' HD3' ' OE2' ' A' ' 90' ' ' GLU . 17.5 ttt180 -72.51 -46.7 53.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.559 -0.713 . . . . 3.1400000000000001 109.899 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.453 ' O ' ' CE ' ' A' ' 99' ' ' LYS . 51.5 tp10 -60.02 -39.43 85.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.642 -0.661 . . . . 2.75 110.745 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 92' ' ' LYS . 68.8 mt-30 -126.45 134.7 50.9 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.093 -1.077 . . . . 5.1699999999999999 108.093 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.61 39.89 3.51 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.612 -1.305 . . . . 8.0600000000000005 111.847 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 97' ' ' LYS . 50.9 tttm 52.21 19.99 1.23 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.839 -1.163 . . . . 9.8699999999999992 109.858 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -138.71 -45.38 0.49 Allowed 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.294 -1.002 . . . . 6.3799999999999999 108.294 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 94' ' ' GLU . 2.2 mtmt -62.59 -34.14 76.4 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.574 -0.85 . . . . 6.5199999999999996 109.509 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -96.91 -23.9 16.11 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.61 0.719 . . . . 7.7300000000000004 110.152 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.1 -46.97 82.14 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.438 -0.789 . . . . 8.0999999999999996 110.451 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -99.83 112.38 24.64 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.699 -0.852 . . . . 10.029999999999999 108.699 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -105.01 105.95 16.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.973 -1.079 . . . . 10.25 110.24 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt . . . . . 0 C--N 1.298 -1.633 0 CA-C-O 117.938 -1.03 . . . . 11.720000000000001 109.982 -179.67 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.6 mtp . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.243 0.544 . . . . 4.6100000000000003 109.789 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 71' ' ' ARG . 46.9 mttt -117.87 -155.85 0.61 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.258 -0.901 . . . . 4.6799999999999997 109.952 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.0 mp0 -128.7 137.15 51.45 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.774 -1.204 . . . . 2.5 112.151 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.652 ' O ' HG13 ' A' ' 67' ' ' VAL . 7.2 t -134.83 139.67 45.26 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.54 -0.725 . . . . 1.3200000000000001 109.315 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.34 125.43 67.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 O-C-N 120.858 -1.151 . . . . 1.5600000000000001 110.713 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' A' ' 66' ' ' VAL . 43.3 t -131.33 139.66 50.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 108.982 -0.747 . . . . 0.64000000000000001 108.982 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.486 ' N ' ' CD1' ' A' ' 7' ' ' TRP . 37.1 m0 -95.06 167.76 11.19 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 120.384 -1.447 . . . . 2.7599999999999998 109.228 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.482 HG22 ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -68.25 -35.13 77.43 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.171 -0.955 . . . . 1.1000000000000001 109.406 178.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 10' ' ' ASN . 18.1 m -65.76 -39.18 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.658 -0.651 . . . . 1.6100000000000001 112.593 -178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.515 ' O ' HG22 ' A' ' 23' ' ' ILE . 87.4 m-20 -49.72 -56.28 10.81 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.64 -1.287 . . . . 2.3999999999999999 111.345 -178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD12 HG12 ' A' ' 23' ' ' ILE . 22.4 tp -68.7 -1.66 7.47 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.086 -1.009 . . . . 1.73 112.028 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.424 ' OD2' ' HG2' ' A' ' 15' ' ' LYS . 66.3 t0 -93.45 125.03 37.83 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.549 -1.345 . . . . 1.6200000000000001 111.233 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 t -70.51 -39.88 73.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.283 -0.886 . . . . 1.6299999999999999 110.362 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -56.05 -20.03 15.3 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.491 -0.756 . . . . 3.0800000000000001 110.911 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HG2' ' OD2' ' A' ' 12' ' ' ASP . 70.1 mmtt -92.05 111.73 23.39 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.33 -0.856 . . . . 3.9199999999999999 109.682 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 60.6 m -69.54 175.94 3.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.133 -0.98 . . . . 1.76 110.735 -179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -52.85 -40.27 63.25 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.435 -0.79 . . . . 4.0300000000000002 110.327 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.93 93.23 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.129 -0.982 . . . . 1.3100000000000001 108.971 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -66.4 -29.12 69.22 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.496 -0.752 . . . . 2.4700000000000002 109.915 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 118.75 71.54 0.38 Allowed Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.058 -1.617 . . . . 1.49 109.058 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 10' ' ' ASN . 40.7 ttt180 -113.15 126.18 55.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.385 -1.068 . . . . 3.46 111.095 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.497 ' HD3' ' ND2' ' A' ' 10' ' ' ASN . 12.0 mtp180 -130.12 10.35 5.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.492 -0.755 . . . . 2.02 109.722 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.782 HG12 HD12 ' A' ' 11' ' ' LEU . 9.2 tp -113.0 143.86 29.96 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.262 -0.899 . . . . 1.6699999999999999 109.89 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.623 ' HG3' HD11 ' A' ' 79' ' ' ILE . 45.6 Cg_endo -71.13 146.7 52.46 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.444 1.234 . . . . 1.47 110.059 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -60.02 -28.91 68.13 Favored 'General case' 0 C--N 1.286 -2.188 0 CA-C-N 115.745 -0.661 . . . . 3.5899999999999999 111.527 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -58.53 -40.76 83.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.052 -1.03 . . . . 3.48 112.173 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -118.62 14.63 13.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.531 -1.356 . . . . 2.02 111.152 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.4 143.25 44.87 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.236 -0.915 . . . . 0.87 111.147 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.659 HG22 ' HG ' ' A' ' 11' ' ' LEU . 32.2 m -105.36 112.98 64.83 Favored Pre-proline 0 N--CA 1.491 1.579 0 N-CA-C 108.847 -0.797 . . . . 1.76 108.847 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 31' ' ' ASN . 38.9 Cg_endo -65.58 131.02 26.51 Favored 'Trans proline' 0 C--N 1.312 -1.389 0 O-C-N 123.158 1.083 . . . . 0.90000000000000002 109.664 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 25.9 t-20 72.58 110.26 0.07 Allowed 'General case' 0 N--CA 1.502 2.149 0 N-CA-C 109.114 -0.698 . . . . 2.1400000000000001 109.114 -178.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG11 ' HB ' ' A' ' 8' ' ' THR . 24.5 m -62.86 144.32 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.297 -0.877 . . . . 2.7999999999999998 110.303 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.616 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 30.4 ttmt -127.02 113.36 16.36 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.18 -0.95 . . . . 1.8700000000000001 111.468 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.9 tp -54.13 -41.42 68.36 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.571 -1.331 . . . . 0.88 108.814 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 73.2 m80 -57.08 -36.7 70.89 Favored 'General case' 0 C--N 1.3 -1.574 0 C-N-CA 119.964 -0.694 . . . . 2.1600000000000001 110.017 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.905 ' HG3' HG23 ' A' ' 85' ' ' ILE . 6.2 pt-20 -76.93 -48.34 18.47 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 118.936 -1.106 . . . . 1.9399999999999999 111.63 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.762 HD22 HG11 ' A' ' 66' ' ' VAL . 20.8 mt -62.62 -54.95 31.86 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.894 -1.129 . . . . 1.75 112.704 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.88 -51.8 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.737 -1.227 . . . . 1.3200000000000001 110.344 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' OE1' HG23 ' A' ' 88' ' ' ILE . 78.0 tt0 -53.49 -27.6 26.22 Favored 'General case' 0 N--CA 1.504 2.241 0 O-C-N 121.154 -0.966 . . . . 2.4399999999999999 111.565 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' HA ' HD11 ' A' ' 88' ' ' ILE . . . -66.52 -51.23 58.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.971 -1.081 . . . . 0.53000000000000003 109.977 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.534 ' HB2' ' CD2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -61.28 -35.31 76.97 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.471 -0.768 . . . . 1.3700000000000001 110.396 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -58.89 -34.87 72.15 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.361 -0.837 . . . . 3.0099999999999998 110.163 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -60.2 -33.99 73.01 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.587 -0.695 . . . . 2.27 111.124 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.587 HD13 ' HD3' ' A' ' 47' ' ' LYS . 0.2 OUTLIER -104.92 -5.32 21.17 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.989 -1.069 . . . . 1.97 111.084 179.768 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 46' ' ' LEU . . . 66.5 -3.88 3.25 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 121.053 -1.029 . . . . 1.02 112.311 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 6.5 tp 178.96 96.59 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 119.109 1.455 . . . . 1.7 110.522 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.587 ' HD3' HD13 ' A' ' 44' ' ' LEU . 29.9 ttpt -149.08 -42.48 0.15 Allowed 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 107.484 -1.302 . . . . 1.52 107.484 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.63 ' HB2' HG22 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -144.87 173.99 11.39 Favored 'General case' 0 C--N 1.308 -1.218 0 N-CA-C 108.601 -0.889 . . . . 1.98 108.601 178.092 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 67' ' ' VAL . 15.1 ttm180 -139.47 142.52 37.36 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.047 -1.033 . . . . 2.98 109.075 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.43 126.48 38.59 Favored 'General case' 0 C--N 1.298 -1.664 0 C-N-CA 118.798 -1.161 . . . . 0.94999999999999996 110.429 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.663 ' OE2' HG21 ' A' ' 67' ' ' VAL . 85.6 mt-10 -106.87 159.54 16.18 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.718 -0.614 . . . . 2.9199999999999999 109.805 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -129.79 145.87 51.55 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.009 -1.057 . . . . 3.1200000000000001 109.238 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -43.59 153.51 0.11 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.49 -0.756 . . . . 5.5800000000000001 110.795 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -53.3 -35.24 59.91 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.379 -0.826 . . . . 7.0899999999999999 111.131 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 30.2 m-85 -127.8 101.07 23.85 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.019 -1.05 . . . . 7.6299999999999999 110.475 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 55' ' ' TYR . 43.5 Cg_endo -67.58 -22.08 44.97 Favored 'Trans proline' 0 C--N 1.314 -1.285 0 O-C-N 123.658 1.346 . . . . 6.4900000000000002 110.636 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -70.7 70.99 0.48 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.179 -0.95 . . . . 8.2100000000000009 109.253 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.1 t -155.79 166.34 33.8 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.416 -0.914 . . . . 6.8499999999999996 110.793 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -117.15 167.3 11.31 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.447 -0.783 . . . . 8.2300000000000004 109.575 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 57.5 77.84 0.26 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.288 -0.882 . . . . 8.4100000000000001 109.996 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 42.5 tt0 -142.42 163.46 32.78 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.531 0.682 . . . . 5.5700000000000003 110.249 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 73.8 mm-40 -84.14 9.31 13.0 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.487 -0.758 . . . . 5.0800000000000001 111.342 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.1 -85.15 1.04 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.355 -1.098 . . . . 2.0699999999999998 110.355 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.93 177.13 33.98 Favored Glycine 0 N--CA 1.492 2.385 0 C-N-CA 119.399 -1.381 . . . . 0.98999999999999999 110.896 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 39.2 ttm180 -120.91 154.8 35.41 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.806 -0.82 . . . . 2.6499999999999999 109.814 -179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.762 HG11 HD22 ' A' ' 37' ' ' LEU . 27.4 m -124.86 143.68 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 120.763 -1.211 . . . . 0.93999999999999995 111.309 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.663 HG21 ' OE2' ' A' ' 51' ' ' GLU . 63.3 t -119.49 135.25 60.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 120.939 -1.1 . . . . 1.3700000000000001 108.759 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.107 HG11 HD11 ' A' ' 77' ' ' LEU . 21.9 t -114.06 134.93 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 120.73 -1.231 . . . . 1.1899999999999999 111.449 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 87.6 mt-10 -79.47 113.77 17.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 118.738 -1.185 . . . . 2.3999999999999999 108.235 178.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.973 ' CD ' HD13 ' A' ' 77' ' ' LEU . 3.5 mttt -178.13 -61.06 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.415 -0.958 . . . . 2.2799999999999998 108.415 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.478 ' HB2' ' CB ' ' A' ' 2' ' ' LYS . 13.1 ttt-85 53.86 170.49 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 121.408 0.623 . . . . 5.04 110.83 178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.61 -54.42 4.92 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.557 -1.417 . . . . 1.3 109.557 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.471 ' OG1' ' HB2' ' A' ' 76' ' ' LYS . 12.6 t -94.93 165.57 12.39 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.377 -1.072 . . . . 3.0499999999999998 110.005 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -121.15 -94.9 0.49 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.978 -1.076 . . . . 4.0300000000000002 111.36 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.496 ' O ' HG12 ' A' ' 79' ' ' ILE . 10.0 m -60.87 -38.58 86.1 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.812 -1.18 . . . . 0.93999999999999995 110.966 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' HB2' ' OG1' ' A' ' 73' ' ' THR . 70.5 mttt -51.19 -46.15 62.05 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 118.85 -1.14 . . . . 3.04 108.795 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.107 HD11 HG11 ' A' ' 68' ' ' VAL . 11.9 tp -55.93 -43.66 77.63 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.723 -1.214 . . . . 2.4199999999999999 107.723 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.453 ' HB3' HD13 ' A' ' 23' ' ' ILE . 63.2 mtt -62.28 -40.77 97.36 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 107.536 -1.283 . . . . 1.22 107.536 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.623 HD11 ' HG3' ' A' ' 24' ' ' PRO . 14.1 mm -60.31 -46.71 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 118.895 -1.122 . . . . 0.89000000000000001 108.03 177.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 83' ' ' ARG . 74.6 mm-40 -65.17 -49.12 71.04 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 119.366 -0.934 . . . . 2.3799999999999999 108.843 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.452 ' HG ' ' CD1' ' A' ' 85' ' ' ILE . 14.1 tp -58.07 -43.32 86.9 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.946 -1.096 . . . . 0.52000000000000002 108.657 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' A' ' 11' ' ' LEU . . . -63.76 -34.73 78.54 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.946 -1.096 . . . . 0.32000000000000001 108.289 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 80' ' ' GLU . 72.3 ttt180 -56.07 -45.98 79.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.227 -0.921 . . . . 2.4300000000000002 109.073 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -72.77 -47.43 46.77 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.242 -0.911 . . . . 2.0099999999999998 109.351 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.905 HG23 ' HG3' ' A' ' 36' ' ' GLU . 63.5 mt -61.15 -39.33 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.698 -0.626 . . . . 1.1399999999999999 110.914 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.6 86.21 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.353 -0.842 . . . . 0.37 109.849 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 90' ' ' GLU . 84.2 tt0 -59.82 -54.52 45.31 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 118.17 -1.412 . . . . 2.3900000000000001 107.753 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.672 HG21 ' HA ' ' A' ' 36' ' ' GLU . 44.2 mt -56.0 -41.78 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 C-N-CA 118.899 -1.12 . . . . 1.3300000000000001 110.444 -178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -57.24 -45.47 83.89 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 106.875 -1.528 . . . . 1.5800000000000001 106.875 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 51.4 tp10 -61.66 -31.34 71.45 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.338 -0.846 . . . . 2.1899999999999999 109.939 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 87' ' ' GLU . 90.8 mt-30 -60.5 -39.26 87.11 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 118.842 -1.143 . . . . 2.0299999999999998 108.445 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 95' ' ' GLN . 43.7 tttt -64.93 -29.03 69.95 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 121.825 0.821 . . . . 2.7200000000000002 109.452 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.406 ' HD3' ' OE2' ' A' ' 90' ' ' GLU . 17.5 ttt180 -72.51 -46.7 53.39 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.559 -0.713 . . . . 3.1400000000000001 109.899 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.453 ' O ' ' CE ' ' A' ' 99' ' ' LYS . 51.5 tp10 -60.02 -39.43 85.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.642 -0.661 . . . . 2.75 110.745 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.414 ' O ' ' O ' ' A' ' 92' ' ' LYS . 18.3 mt-30 -126.45 134.7 50.9 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.093 -1.077 . . . . 5.1699999999999999 108.093 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.61 39.89 3.51 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.612 -1.305 . . . . 8.0600000000000005 111.847 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 97' ' ' LYS . 50.9 tttm 52.21 19.99 1.23 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.839 -1.163 . . . . 9.8699999999999992 109.858 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -138.71 -45.38 0.49 Allowed 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.294 -1.002 . . . . 6.3799999999999999 108.294 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 94' ' ' GLU . 2.2 mtmt -62.59 -34.14 76.4 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 119.574 -0.85 . . . . 6.5199999999999996 109.509 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -96.91 -23.9 16.11 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.61 0.719 . . . . 7.7300000000000004 110.152 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.1 -46.97 82.14 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.438 -0.789 . . . . 8.0999999999999996 110.451 -179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -99.83 112.38 24.64 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.699 -0.852 . . . . 10.029999999999999 108.699 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -105.01 105.95 16.22 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.973 -1.079 . . . . 10.25 110.24 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt . . . . . 0 C--N 1.298 -1.633 0 CA-C-O 117.938 -1.03 . . . . 11.720000000000001 109.982 -179.67 . . . . . . . . 0 0 . 1 stop_ save_