data_2mc5_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 2mc5 _Structure_validation_residue.Date_analyzed 2016-10-08 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 . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.602 0.239 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.656 ' HA ' ' O ' ' A' ' 17' ' ' GLN . 50.4 t30 -80.29 135.44 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.89 93.04 1.89 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.016 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.77 ' CD1' ' HB2' ' A' ' 16' ' ' SER . 53.9 m-85 -48.71 127.47 13.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.453 0.644 . . . . 0.0 111.638 175.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p -126.79 129.34 48.14 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.337 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.47 132.31 52.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.059 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.4 mt -85.76 124.83 40.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 -173.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.5 t -66.17 118.42 9.87 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.566 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 65' ' ' LYS . . . 103.78 20.78 10.3 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.906 177.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -138.15 161.29 37.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.292 0.546 . . . . 0.0 111.611 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' HA ' HG22 ' A' ' 68' ' ' THR . 2.6 p -56.93 -51.84 63.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 O-C-N 123.347 0.404 . . . . 0.0 111.935 -176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 44.9 t30 -170.09 57.0 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.9 144.56 28.81 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -131.12 134.94 47.04 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.594 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.657 ' HA2' ' O ' ' A' ' 23' ' ' THR . . . -111.29 103.03 1.52 Allowed Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.132 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.77 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . 11.2 t -94.44 116.22 28.54 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.656 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 17.5 pt20 -86.05 146.92 26.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.692 0.758 . . . . 0.0 110.993 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -149.55 76.3 1.3 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.079 -175.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.85 80.34 0.07 OUTLIER Glycine 0 CA--C 1.52 0.4 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.133 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.4 m 76.39 -50.52 0.59 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.25 0.62 . . . . 0.0 112.259 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.637 ' HB ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -77.73 135.68 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.655 0.741 . . . . 0.0 111.242 176.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.55 136.73 52.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.696 -173.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.657 ' O ' ' HA2' ' A' ' 15' ' ' GLY . 91.4 m -97.71 114.24 26.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG21 HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -114.08 103.84 16.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -175.314 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 48.5 pttt -111.46 162.17 15.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.721 -177.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -126.65 127.86 70.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 122.997 0.185 . . . . 0.0 111.058 178.186 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 48.6 mt-10 -116.64 151.69 35.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.355 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -91.48 -176.09 4.41 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -69.76 -17.89 63.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.251 1.024 . . . . 0.0 108.553 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.14 -7.43 57.03 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 113.915 -1.493 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.31 -3.98 84.86 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.85 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.432 ' HE3' ' HA ' ' A' ' 32' ' ' TRP . 3.1 m95 -81.97 134.69 35.39 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.507 HG21 ' HB2' ' A' ' 25' ' ' LYS . 1.4 m -77.86 111.91 14.19 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 171.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.44 -49.03 52.96 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.153 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.55 HG11 ' CG ' ' A' ' 61' ' ' ASN . 14.4 p -146.23 160.23 10.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.864 169.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 14.7 tt0 -147.28 134.98 21.08 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.146 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -128.4 152.42 48.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.659 0.266 . . . . 0.0 110.452 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -116.16 136.01 53.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.337 0.589 . . . . 0.0 109.785 172.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.528 ' CG ' HG21 ' A' ' 54' ' ' VAL . 88.0 m-85 -129.49 114.1 15.7 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.211 -177.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.637 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 4.7 p-10 -95.91 139.39 32.19 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 173.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -71.36 -6.7 42.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -169.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.56 -10.3 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.669 0.271 . . . . 0.0 110.866 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.582 ' HB3' ' CD1' ' A' ' 44' ' ' TYR . 24.2 t70 -80.38 -24.16 39.94 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.508 0.67 . . . . 0.0 109.537 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CD1' ' HB3' ' A' ' 43' ' ' ASP . 20.4 m-85 -107.33 170.02 8.21 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.71 -171.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.31 -12.02 28.05 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.881 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.47 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 1.5 p -149.43 158.01 43.8 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.841 0.353 . . . . 0.0 111.488 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.648 ' N ' ' HD2' ' A' ' 48' ' ' PRO . 22.2 t70 -64.57 -46.53 77.13 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.394 175.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 47' ' ' ASP . 11.7 Cg_endo -55.08 -43.58 57.85 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.453 2.102 . . . . 0.0 112.078 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.25 -52.89 40.63 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.178 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 47' ' ' ASP . 87.8 t80 -58.39 -56.91 16.01 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.397 -1.729 . . . . 0.0 110.598 -175.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 47' ' ' ASP . 3.3 m -61.09 -36.77 74.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.007 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.44 -55.22 14.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.38 -38.3 86.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.116 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG13 HG21 ' A' ' 24' ' ' VAL . 4.5 t -68.54 -56.33 12.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.718 -174.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 p -71.97 -26.63 62.34 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.489 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 t -75.01 -27.03 59.97 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.293 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 47.1 t80 -73.93 -52.51 12.65 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' C ' HD13 ' A' ' 58' ' ' LEU . 3.1 pp -57.53 -35.36 70.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' N ' HD13 ' A' ' 58' ' ' LEU . 82.1 tttt -58.81 -50.24 74.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.488 0.661 . . . . 0.0 110.338 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.409 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -74.16 -10.87 60.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.457 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.55 ' CG ' HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -104.52 -14.22 15.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -174.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.89 -7.58 0.19 Allowed Glycine 0 C--N 1.329 0.159 0 C-N-CA 119.728 -1.225 . . . . 0.0 113.736 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.549 ' N ' HG13 ' A' ' 26' ' ' VAL . . . -85.53 107.87 3.16 Favored Glycine 0 CA--C 1.495 -1.157 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.774 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.8 mm -89.53 128.78 41.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 65.1 mmtt -57.19 167.61 0.86 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.011 0.194 . . . . 0.0 110.967 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -44.37 103.34 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.222 0.534 . . . . 0.0 111.254 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 48.5 tp 171.41 -31.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.788 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 11' ' ' VAL . 67.7 p 54.8 89.93 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.842 0.714 . . . . 0.0 111.809 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -115.09 116.86 29.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.38 87.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.0 tp -121.53 -63.75 1.29 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.863 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.5 m 65.34 97.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.798 -177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.404 -0.808 . . . . 0.0 110.144 177.69 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.602 0.239 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.671 ' HA ' ' O ' ' A' ' 17' ' ' GLN . 50.4 t30 -80.29 135.44 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.89 93.04 1.89 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.016 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.781 ' CD1' ' HB2' ' A' ' 16' ' ' SER . 53.9 m-85 -48.71 127.47 13.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.453 0.644 . . . . 0.0 111.638 175.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p -126.79 129.34 48.14 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.337 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.47 132.31 52.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.059 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.4 mt -85.76 124.83 40.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 -173.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.5 t -66.17 118.42 9.87 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.566 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 65' ' ' LYS . . . 103.78 20.78 10.3 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.906 177.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -138.15 161.29 37.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.292 0.546 . . . . 0.0 111.611 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.487 ' HA ' HG22 ' A' ' 68' ' ' THR . 2.6 p -56.93 -51.84 63.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 O-C-N 123.347 0.404 . . . . 0.0 111.935 -176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 44.9 t30 -170.09 57.0 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . . . -99.9 144.56 28.81 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -175.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -131.12 134.94 47.04 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.594 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.651 ' HA2' ' O ' ' A' ' 23' ' ' THR . . . -111.29 103.03 1.52 Allowed Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.132 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.781 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . 11.2 t -94.44 116.22 28.54 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.671 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 17.5 pt20 -86.05 146.92 26.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.692 0.758 . . . . 0.0 110.993 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 21' ' ' VAL . 8.2 tpt180 -149.55 76.3 1.3 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.079 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.85 80.34 0.07 OUTLIER Glycine 0 CA--C 1.52 0.4 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.133 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.4 m 76.39 -50.52 0.59 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.25 0.62 . . . . 0.0 112.259 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.648 ' HB ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -77.73 135.68 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.655 0.741 . . . . 0.0 111.242 176.565 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.55 136.73 52.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.696 -173.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.651 ' O ' ' HA2' ' A' ' 15' ' ' GLY . 91.4 m -97.71 114.24 26.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG21 HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -114.08 103.84 16.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -175.314 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 48.5 pttt -111.46 162.17 15.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.721 -177.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.575 HG11 ' N ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -126.65 127.86 70.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 122.997 0.185 . . . . 0.0 111.058 178.186 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 48.6 mt-10 -116.64 151.69 35.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.355 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -91.48 -176.09 4.41 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -69.76 -17.89 63.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.251 1.024 . . . . 0.0 108.553 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.14 -7.43 57.03 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 113.915 -1.493 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.31 -3.98 84.86 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.85 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.439 ' HE3' ' HA ' ' A' ' 32' ' ' TRP . 3.1 m95 -81.97 134.69 35.39 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' ' 25' ' ' LYS . 1.4 m -77.86 111.91 14.19 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 171.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.44 -49.03 52.96 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.153 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG11 ' CG ' ' A' ' 61' ' ' ASN . 14.4 p -146.23 160.23 10.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.864 169.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 14.7 tt0 -147.28 134.98 21.08 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.146 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -128.4 152.42 48.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.659 0.266 . . . . 0.0 110.452 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -116.16 136.01 53.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.337 0.589 . . . . 0.0 109.785 172.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.548 ' CG ' HG22 ' A' ' 54' ' ' VAL . 88.0 m-85 -129.49 114.1 15.7 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.211 -177.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.648 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 4.7 p-10 -95.91 139.39 32.19 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 173.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -71.36 -6.7 42.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -169.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -75.56 -10.3 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.669 0.271 . . . . 0.0 110.866 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.583 ' HB3' ' CD1' ' A' ' 44' ' ' TYR . 24.2 t70 -80.38 -24.16 39.94 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.508 0.67 . . . . 0.0 109.537 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CD1' ' HB3' ' A' ' 43' ' ' ASP . 20.4 m-85 -107.33 170.02 8.21 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.71 -171.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.31 -12.02 28.05 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.881 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 1.5 p -149.43 158.01 43.8 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.841 0.353 . . . . 0.0 111.488 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.651 ' N ' ' HD2' ' A' ' 48' ' ' PRO . 22.2 t70 -64.57 -46.53 77.13 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.394 175.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 47' ' ' ASP . 11.7 Cg_endo -55.08 -43.58 57.85 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.453 2.102 . . . . 0.0 112.078 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.25 -52.89 40.63 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.178 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' ' 47' ' ' ASP . 87.8 t80 -58.39 -56.91 16.01 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.397 -1.729 . . . . 0.0 110.598 -175.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 47' ' ' ASP . 3.3 m -61.09 -36.77 74.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.007 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.44 -55.22 14.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.38 -38.3 86.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.116 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.815 HG13 HG21 ' A' ' 24' ' ' VAL . 4.5 t -68.54 -56.33 12.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.718 -174.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 p -71.97 -26.63 62.34 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.489 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 t -75.01 -27.03 59.97 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.293 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.423 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 47.1 t80 -73.93 -52.51 12.65 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.1 pp -57.53 -35.36 70.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' N ' HD12 ' A' ' 58' ' ' LEU . 82.1 tttt -58.81 -50.24 74.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.488 0.661 . . . . 0.0 110.338 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -74.16 -10.87 60.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.457 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.521 ' CG ' HG11 ' A' ' 35' ' ' VAL . 2.7 t-20 -104.52 -14.22 15.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -174.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.89 -7.58 0.19 Allowed Glycine 0 C--N 1.329 0.159 0 C-N-CA 119.728 -1.225 . . . . 0.0 113.736 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.575 ' N ' HG11 ' A' ' 26' ' ' VAL . . . -85.53 107.87 3.16 Favored Glycine 0 CA--C 1.495 -1.157 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.774 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.8 mm -89.53 128.78 41.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 65.1 mmtt -57.19 167.61 0.86 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.011 0.194 . . . . 0.0 110.967 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 22.4 t70 -44.37 103.34 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.222 0.534 . . . . 0.0 111.254 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 66' ' ' ASP . 48.5 tp 171.41 -31.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.788 -172.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 11' ' ' VAL . 67.7 p 54.8 89.93 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.842 0.714 . . . . 0.0 111.809 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -115.09 116.86 29.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.38 87.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.0 tp -121.53 -63.75 1.29 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.863 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.5 m 65.34 97.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.798 -177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.404 -0.808 . . . . 0.0 110.144 177.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 120.602 0.239 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.671 ' HA ' ' O ' ' A' ' 17' ' ' GLN . 50.4 t30 -80.29 135.44 36.22 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.89 93.04 1.89 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.016 -176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.781 ' CD1' ' HB2' ' A' ' 16' ' ' SER . 53.9 m-85 -48.71 127.47 13.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.453 0.644 . . . . 0.0 111.638 175.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p -126.79 129.34 48.14 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.337 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -62.47 132.31 52.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.059 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.4 mt -85.76 124.83 40.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 -173.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.5 t -66.17 118.42 9.87 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.566 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.518 ' O ' ' HA ' ' A' ' 65' ' ' LYS . . . 103.78 20.78 10.3 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.906 177.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -138.15 161.29 37.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 117.292 0.546 . . . . 0.0 111.611 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.487 ' HA ' HG22 ' A' ' 68' ' ' THR . 2.6 p -56.93 -51.84 63.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 O-C-N 123.347 0.404 . . . . 0.0 111.935 -176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 27' ' ' GLU . 44.9 t30 -170.09 57.0 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 175.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' VAL . . . -99.9 144.56 28.81 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -175.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -131.12 134.94 47.04 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.594 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.651 ' HA2' ' O ' ' A' ' 23' ' ' THR . . . -111.29 103.03 1.52 Allowed Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.132 176.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.781 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . 11.2 t -94.44 116.22 28.54 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.671 ' O ' ' HA ' ' A' ' 2' ' ' ASN . 17.5 pt20 -86.05 146.92 26.42 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.692 0.758 . . . . 0.0 110.993 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 21' ' ' VAL . 8.2 tpt180 -149.55 76.3 1.3 Allowed 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.079 -175.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 52.85 80.34 0.07 OUTLIER Glycine 0 CA--C 1.52 0.4 0 CA-C-N 115.998 -0.546 . . . . 0.0 113.133 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.4 m 76.39 -50.52 0.59 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.25 0.62 . . . . 0.0 112.259 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.648 ' HB ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -77.73 135.68 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.655 0.741 . . . . 0.0 111.242 176.565 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.55 136.73 52.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.696 -173.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.651 ' O ' ' HA2' ' A' ' 15' ' ' GLY . 91.4 m -97.71 114.24 26.18 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 174.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG21 HG13 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -114.08 103.84 16.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -175.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 48.5 pttt -111.46 162.17 15.36 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.721 -177.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.575 HG11 ' N ' ' A' ' 63' ' ' GLY . 0.0 OUTLIER -126.65 127.86 70.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 122.997 0.185 . . . . 0.0 111.058 178.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' HB2' ' HB3' ' A' ' 12' ' ' ASN . 48.6 mt-10 -116.64 151.69 35.77 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.355 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -91.48 -176.09 4.41 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -69.76 -17.89 63.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.251 1.024 . . . . 0.0 108.553 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -78.14 -7.43 57.03 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 113.915 -1.493 . . . . 0.0 111.052 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.31 -3.98 84.86 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.85 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.439 ' HE3' ' HA ' ' A' ' 32' ' ' TRP . 3.1 m95 -81.97 134.69 35.39 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 110.604 -0.147 . . . . 0.0 110.604 178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' ' 25' ' ' LYS . 1.4 m -77.86 111.91 14.19 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 171.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.44 -49.03 52.96 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.153 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG11 ' CG ' ' A' ' 61' ' ' ASN . 14.4 p -146.23 160.23 10.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.864 169.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 14.7 tt0 -147.28 134.98 21.08 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.146 -176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -128.4 152.42 48.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.659 0.266 . . . . 0.0 110.452 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -116.16 136.01 53.41 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.337 0.589 . . . . 0.0 109.785 172.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.548 ' CG ' HG22 ' A' ' 54' ' ' VAL . 88.0 m-85 -129.49 114.1 15.7 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.211 -177.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.648 ' CB ' ' HB ' ' A' ' 21' ' ' VAL . 4.7 p-10 -95.91 139.39 32.19 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 173.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -71.36 -6.7 42.05 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -169.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' OD2' ' A' ' 40' ' ' ASP . . . -75.56 -10.3 59.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.669 0.271 . . . . 0.0 110.866 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.583 ' HB3' ' CD1' ' A' ' 44' ' ' TYR . 24.2 t70 -80.38 -24.16 39.94 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.508 0.67 . . . . 0.0 109.537 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CD1' ' HB3' ' A' ' 43' ' ' ASP . 20.4 m-85 -107.33 170.02 8.21 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-N 115.003 -0.998 . . . . 0.0 110.71 -171.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.31 -12.02 28.05 Favored Glycine 0 N--CA 1.442 -0.929 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.881 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 48' ' ' PRO . 1.5 p -149.43 158.01 43.8 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.841 0.353 . . . . 0.0 111.488 178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.651 ' N ' ' HD2' ' A' ' 48' ' ' PRO . 22.2 t70 -64.57 -46.53 77.13 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.394 175.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 47' ' ' ASP . 11.7 Cg_endo -55.08 -43.58 57.85 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.453 2.102 . . . . 0.0 112.078 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.25 -52.89 40.63 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.178 173.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' ' 47' ' ' ASP . 87.8 t80 -58.39 -56.91 16.01 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.397 -1.729 . . . . 0.0 110.598 -175.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 47' ' ' ASP . 3.3 m -61.09 -36.77 74.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.007 -176.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.44 -55.22 14.51 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.292 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.38 -38.3 86.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.116 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.815 HG13 HG21 ' A' ' 24' ' ' VAL . 4.5 t -68.54 -56.33 12.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.718 -174.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.9 p -71.97 -26.63 62.34 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.636 -0.425 . . . . 0.0 110.489 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 t -75.01 -27.03 59.97 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.293 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.423 ' O ' ' HB2' ' A' ' 61' ' ' ASN . 47.1 t80 -73.93 -52.51 12.65 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.459 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.1 pp -57.53 -35.36 70.19 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 175.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' N ' HD12 ' A' ' 58' ' ' LEU . 82.1 tttt -58.81 -50.24 74.7 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-O 121.488 0.661 . . . . 0.0 110.338 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 0.8 OUTLIER -74.16 -10.87 60.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.457 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.521 ' CG ' HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -104.52 -14.22 15.75 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -174.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 157.89 -7.58 0.19 Allowed Glycine 0 C--N 1.329 0.159 0 C-N-CA 119.728 -1.225 . . . . 0.0 113.736 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.575 ' N ' HG11 ' A' ' 26' ' ' VAL . . . -85.53 107.87 3.16 Favored Glycine 0 CA--C 1.495 -1.157 0 C-N-CA 121.212 -0.518 . . . . 0.0 112.774 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.8 mm -89.53 128.78 41.34 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 9' ' ' GLY . 65.1 mmtt -57.19 167.61 0.86 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.011 0.194 . . . . 0.0 110.967 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 67' ' ' LEU . 22.4 t70 -44.37 103.34 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.222 0.534 . . . . 0.0 111.254 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 66' ' ' ASP . 48.5 tp 171.41 -31.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.788 -172.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.487 HG22 ' HA ' ' A' ' 11' ' ' VAL . 67.7 p 54.8 89.93 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.842 0.714 . . . . 0.0 111.809 175.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -115.09 116.86 29.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.8 t -78.38 87.22 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.0 tp -121.53 -63.75 1.29 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.863 -175.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.5 m 65.34 97.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.798 -177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.404 -0.808 . . . . 0.0 110.144 177.69 . . . . . . . . 0 0 . 1 stop_ save_