data_1ik8_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 1ik8 _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' ' ' ILE . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.429 ' CG1' ' SG ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -176.97 -103.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.784 0 CA-C-O 113.674 -3.06 . . . . 0.0 106.392 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.616 ' CB ' ' ND2' ' A' ' 66' ' ' ASN . 28.0 p -53.1 136.05 36.38 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 120.011 1.278 . . . . 0.0 108.265 -174.72 66.588 -76.572 -68.618 100.117 2.087 75.969 -163.843 -75.082 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -124.62 53.5 1.45 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 123.892 1.806 . . . . 0.0 112.069 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' OG1' ' CD ' ' A' ' 64' ' ' LYS . 13.8 m -144.42 -112.53 0.1 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 115.333 -2.27 . . . . 0.0 113.397 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.9 ' C ' ' CG1' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -72.12 -147.99 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 128.502 3.626 . . . . 0.0 110.355 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.801 ' CB ' ' CA ' ' A' ' 43' ' ' GLY . . . 104.2 76.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.685 ' O ' ' CB ' ' A' ' 9' ' ' SER . 2.9 m 81.81 58.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 1.004 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 38.1 p 102.03 -150.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 1.004 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.97 -22.58 14.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.9 ' CG1' ' C ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 52.86 -152.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -177.64 39.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.065 . . . . 0.0 110.006 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 12' ' ' SER 0.324 . . 99.74 -35.19 0.01 OUTLIER 'General case' 0 C--O 1.179 -2.632 1 CA-C-O 107.536 -5.983 . . . . 0.0 107.241 179.797 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.412 ' CG2' ' CG2' ' A' ' 11' ' ' ILE . 48.6 t 3.76 -78.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.977 0 O-C-N 128.778 3.799 . . . . 0.0 109.293 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.833 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 24.4 p 107.04 21.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.374 ' SG ' ' CB ' ' A' ' 44' ' ' CYS . 31.4 p 65.82 -146.78 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 127.278 2.861 . . . . 0.0 108.5 176.985 64.05 131.767 41.037 104.811 2.566 54.838 -170.185 -176.052 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.954 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -79.88 -144.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 CA-C-N 121.301 1.5 . . . . 0.0 111.032 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.954 ' CD ' ' CB ' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.11 -113.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.95 -23.1 2.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.42 1.075 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.68 ' O ' ' CB ' ' A' ' 21' ' ' ASN . 3.5 mp0 65.91 62.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.68 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 98.82 146.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 93.87 155.23 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.944 0 O-C-N 117.832 -3.043 . . . . 0.0 110.814 -175.212 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.801 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 56.6 m -160.46 106.49 1.51 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 112.502 -2.135 . . . . 0.0 108.304 -179.23 -75.082 -163.843 -68.618 75.969 2.087 100.117 -76.572 66.588 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.161 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -60.59 112.53 2.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -97.75 126.93 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.743 ' CE ' ' CE1' ' A' ' 54' ' ' TYR . 38.3 tttt -149.79 152.37 35.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.61 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 6.9 tpt 84.3 166.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.607 ' CA ' ' CG1' ' A' ' 40' ' ' VAL . 1.8 t90 161.79 -42.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.717 ' O ' ' N ' ' A' ' 31' ' ' ALA . 2.2 t -113.04 62.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.307 179.997 161.652 173.97 -128.077 132.41 1.636 108.579 -12.107 -64.973 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.837 ' CB ' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER 12.04 -79.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 174.25 -0.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.837 ' CZ ' ' CB ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -112.71 -2.01 14.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.594 ' C ' ' O ' ' A' ' 32' ' ' PHE . 92.4 m 25.53 46.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.33 -179.975 -64.973 -12.107 -128.077 108.579 1.636 132.41 173.97 161.652 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.654 ' O ' ' CB ' ' A' ' 35' ' ' SER . 0.6 OUTLIER -91.79 27.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.654 ' CB ' ' O ' ' A' ' 34' ' ' SER . 0.1 OUTLIER 98.63 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 59.74 -135.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.01 89.0 0.68 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -146.33 16.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.776 ' CG2' ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -119.38 77.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.607 ' CG1' ' CA ' ' A' ' 28' ' ' TRP . 3.7 m -104.5 -167.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.677 ' O ' ' C ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -129.7 -41.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.76 ' O ' ' CA ' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -14.18 87.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.371 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.801 ' CA ' ' CB ' ' A' ' 7' ' ' ALA . . . -144.1 8.38 1.93 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 1.374 ' CB ' ' SG ' ' A' ' 16' ' ' CYS . 42.2 t 44.14 149.14 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 126.427 3.013 . . . . 0.0 117.395 -173.293 -176.052 -170.185 41.037 54.838 2.566 104.811 131.767 64.05 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.786 ' O ' ' CB ' ' A' ' 46' ' ' ALA . . . -151.84 39.47 0.62 Allowed 'General case' 0 C--N 1.322 -0.604 1 CA-C-N 106.448 -4.887 . . . . 0.0 109.236 -173.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.786 ' CB ' ' O ' ' A' ' 45' ' ' ALA . . . 131.63 -98.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.588 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.0 OUTLIER -135.09 48.73 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' THR . 17.9 t 38.38 88.22 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.336 -179.898 170.871 -148.783 -157.429 97.715 1.552 112.69 86.352 -146.721 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' SER . 18.0 Cg_endo -74.96 7.97 2.61 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.426 1.75 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 49' ' ' PRO . 3.0 p 81.3 -53.54 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.888 ' CE ' ' CD1' ' A' ' 24' ' ' TYR . 7.9 mttp 79.08 -133.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.473 ' CB ' ' CD ' ' A' ' 53' ' ' PRO . 0.6 OUTLIER -126.9 178.36 1.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.678 ' O ' ' O ' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.97 -72.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.761 ' O ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER 33.35 -166.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.761 ' O ' ' O ' ' A' ' 54' ' ' TYR . 27.1 mm-40 -19.09 -112.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.56 ' O ' ' CE1' ' A' ' 54' ' ' TYR . 1.7 mm-40 -117.79 151.62 36.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.743 ' CG1' ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -158.18 -178.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.699 ' CG2' ' N ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER 170.66 -158.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.404 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.699 ' N ' ' CG2' ' A' ' 58' ' ' THR . 1.0 OUTLIER 178.76 111.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.332 -179.996 -146.721 86.352 -157.429 112.69 1.552 97.715 -148.783 170.871 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.577 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.1 OUTLIER -118.19 -159.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.619 1.199 . . . . 0.0 108.244 -179.983 -116.367 -174.615 -21.316 114.826 2.164 77.706 -179.431 -98.272 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.623 ' O ' ' OG ' ' A' ' 61' ' ' SER . 0.0 OUTLIER 153.01 47.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.762 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -133.14 34.61 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.762 ' CB ' ' O ' ' A' ' 62' ' ' THR . 8.8 t0 112.86 -33.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.575 ' CG ' ' N ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.76 173.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.575 ' N ' ' CG ' ' A' ' 64' ' ' LYS . 1.2 m 158.26 48.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 108.279 -179.891 -98.272 -179.431 -21.316 77.706 2.164 114.826 -174.615 -116.367 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.616 ' ND2' ' CB ' ' A' ' 3' ' ' CYS . 3.2 p30 -164.53 52.6 0.3 Allowed Pre-proline 0 C--N 1.292 -1.913 0 O-C-N 125.654 1.846 . . . . 0.0 109.0 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.511 ' C ' ' CD2' ' A' ' 68' ' ' HIS . 18.3 Cg_endo -76.83 -142.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.712 2.275 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.668 ' CD2' ' OG1' ' A' ' 6' ' ' THR . 6.4 p80 163.78 122.63 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' GLN . 18.0 Cg_endo -75.03 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.83 -91.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.642 ' NE2' ' CE1' ' A' ' 68' ' ' HIS . 35.9 mt-30 64.12 -155.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.407 1.067 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.71 121.68 3.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 43.89 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 99.989999999999995 110.997 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 1' ' ' ILE . 1.8 tt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.842 HG21 ' H ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -176.97 -103.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.784 0 CA-C-O 113.674 -3.06 . . . . 0.0 106.392 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.04 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 28.0 p -53.1 136.05 36.38 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 120.011 1.278 . . . . 0.0 108.265 -174.72 66.588 -76.572 -68.618 100.117 2.087 75.969 -163.843 -75.082 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.86 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 44.8 m80 -124.62 53.5 1.45 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 123.892 1.806 . . . . 0.0 112.069 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.979 HG21 ' HA ' ' A' ' 67' ' ' PRO . 13.8 m -144.42 -112.53 0.1 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 115.333 -2.27 . . . . 0.0 113.397 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 1.386 ' C ' HG13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -72.12 -147.99 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 128.502 3.626 . . . . 0.0 110.355 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 1.279 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . 104.2 76.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.685 ' O ' ' CB ' ' A' ' 9' ' ' SER . 2.9 m 81.81 58.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.007 ' HB2' ' CD ' ' A' ' 10' ' ' PRO . 38.1 p 102.03 -150.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 1.007 ' CD ' ' HB2' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.97 -22.58 14.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.386 HG13 ' C ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 52.86 -152.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -177.64 39.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.065 . . . . 0.0 110.006 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 4' ' ' HIS 0.324 . . 99.74 -35.19 0.01 OUTLIER 'General case' 0 C--O 1.179 -2.632 1 CA-C-O 107.536 -5.983 . . . . 0.0 107.241 179.797 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.86 ' CG2' HG22 ' A' ' 11' ' ' ILE . 48.6 t 3.76 -78.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.977 0 O-C-N 128.778 3.799 . . . . 0.0 109.293 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 3' ' ' CYS . 24.4 p 107.04 21.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.558 ' CB ' ' HB3' ' A' ' 44' ' ' CYS . 31.4 p 65.82 -146.78 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 127.278 2.861 . . . . 0.0 108.5 176.985 64.05 131.767 41.037 104.811 2.566 54.838 -170.185 -176.052 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 1.308 ' HB2' ' CD ' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -79.88 -144.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 CA-C-N 121.301 1.5 . . . . 0.0 111.032 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 1.308 ' CD ' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.11 -113.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' H ' ' HB2' ' A' ' 18' ' ' PRO . . . 76.95 -23.1 2.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.42 1.075 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.81 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 3.5 mp0 65.91 62.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.81 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 98.82 146.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.865 ' HG ' ' O ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER 93.87 155.23 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.944 0 O-C-N 117.832 -3.043 . . . . 0.0 110.814 -175.212 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.831 ' SG ' HG13 ' A' ' 2' ' ' VAL . 56.6 m -160.46 106.49 1.51 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 112.502 -2.135 . . . . 0.0 108.304 -179.23 -75.082 -163.843 -68.618 75.969 2.087 100.117 -76.572 66.588 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.161 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -60.59 112.53 2.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.82 ' HB3' HG22 ' A' ' 58' ' ' THR . 3.0 ttt180 -97.75 126.93 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.137 ' CG ' HG13 ' A' ' 57' ' ' VAL . 38.3 tttt -149.79 152.37 35.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.811 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 6.9 tpt 84.3 166.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.94 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . 1.8 t90 161.79 -42.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.717 ' O ' ' N ' ' A' ' 31' ' ' ALA . 2.2 t -113.04 62.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.307 179.997 161.652 173.97 -128.077 132.41 1.636 108.579 -12.107 -64.973 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.837 ' CB ' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER 12.04 -79.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 174.25 -0.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.837 ' CZ ' ' CB ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -112.71 -2.01 14.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.594 ' C ' ' O ' ' A' ' 32' ' ' PHE . 92.4 m 25.53 46.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.33 -179.975 -64.973 -12.107 -128.077 108.579 1.636 132.41 173.97 161.652 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.813 ' O ' ' HB2' ' A' ' 35' ' ' SER . 0.6 OUTLIER -91.79 27.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.813 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.1 OUTLIER 98.63 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HB3' ' CE ' ' A' ' 70' ' ' LYS . 15.3 mtp180 59.74 -135.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.01 89.0 0.68 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.691 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 2.4 ttpp -146.33 16.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -119.38 77.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.94 ' CG1' ' HA ' ' A' ' 28' ' ' TRP . 3.7 m -104.5 -167.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.729 ' HG2' ' HE1' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -129.7 -41.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.029 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -14.18 87.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.371 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 1.279 ' HA2' ' CB ' ' A' ' 7' ' ' ALA . . . -144.1 8.38 1.93 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 1.558 ' HB3' ' CB ' ' A' ' 16' ' ' CYS . 42.2 t 44.14 149.14 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 126.427 3.013 . . . . 0.0 117.395 -173.293 -176.052 -170.185 41.037 54.838 2.566 104.811 131.767 64.05 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.786 ' O ' ' CB ' ' A' ' 46' ' ' ALA . . . -151.84 39.47 0.62 Allowed 'General case' 0 C--N 1.322 -0.604 1 CA-C-N 106.448 -4.887 . . . . 0.0 109.236 -173.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.786 ' CB ' ' O ' ' A' ' 45' ' ' ALA . . . 131.63 -98.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.588 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.0 OUTLIER -135.09 48.73 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.558 ' CB ' HD21 ' A' ' 22' ' ' LEU . 17.9 t 38.38 88.22 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.336 -179.898 170.871 -148.783 -157.429 97.715 1.552 112.69 86.352 -146.721 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' SER . 18.0 Cg_endo -74.96 7.97 2.61 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.426 1.75 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.521 ' C ' ' HG3' ' A' ' 51' ' ' LYS . 3.0 p 81.3 -53.54 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 1.069 ' HE2' ' CD1' ' A' ' 24' ' ' TYR . 7.9 mttp 79.08 -133.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' O ' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -126.9 178.36 1.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.678 ' O ' ' O ' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.97 -72.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.987 ' CE2' ' HB2' ' A' ' 55' ' ' GLU . 0.1 OUTLIER 33.35 -166.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.987 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 27.1 mm-40 -19.09 -112.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.653 ' HG3' ' HB3' ' A' ' 28' ' ' TRP . 1.7 mm-40 -117.79 151.62 36.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.137 HG13 ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -158.18 -178.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.92 HG23 ' N ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER 170.66 -158.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.404 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.92 ' N ' HG23 ' A' ' 58' ' ' THR . 1.0 OUTLIER 178.76 111.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.332 -179.996 -146.721 86.352 -157.429 112.69 1.552 97.715 -148.783 170.871 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.865 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -118.19 -159.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.619 1.199 . . . . 0.0 108.244 -179.983 -116.367 -174.615 -21.316 114.826 2.164 77.706 -179.431 -98.272 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.814 ' HB3' ' O ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER 153.01 47.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.762 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -133.14 34.61 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.762 ' CB ' ' O ' ' A' ' 62' ' ' THR . 8.8 t0 112.86 -33.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 1.04 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 177.76 173.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.975 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 1.2 m 158.26 48.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 108.279 -179.891 -98.272 -179.431 -21.316 77.706 2.164 114.826 -174.615 -116.367 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 1.029 ' HB2' ' HB2' ' A' ' 42' ' ' LEU . 11.2 p-10 -164.53 52.6 0.3 Allowed Pre-proline 0 C--N 1.292 -1.913 0 O-C-N 125.654 1.846 . . . . 0.0 109.0 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.979 ' HA ' HG21 ' A' ' 5' ' ' THR . 18.3 Cg_endo -76.83 -142.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.712 2.275 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.667 ' CD2' ' CG ' ' A' ' 71' ' ' GLN . 21.4 p-80 163.78 122.63 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' GLN . 18.0 Cg_endo -75.03 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HZ2' ' HB3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER 50.83 -91.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.667 ' CG ' ' CD2' ' A' ' 68' ' ' HIS . 16.4 mt-30 64.12 -155.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.407 1.067 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' H ' ' HB3' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -151.71 121.68 3.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 43.89 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 72' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 99.99 110.997 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 1' ' ' ILE . 1.8 tt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.842 HG21 ' H ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -176.97 -103.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.784 0 CA-C-O 113.674 -3.06 . . . . 0.0 106.392 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.065 ' HB2' HD21 ' A' ' 66' ' ' ASN . 28.0 p -53.1 136.05 36.38 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 120.011 1.278 . . . . 0.0 108.265 -174.72 66.588 -76.572 -68.618 100.117 2.087 75.969 -163.843 -75.082 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.86 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 44.8 m80 -124.62 53.5 1.45 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 123.892 1.806 . . . . 0.0 112.069 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.979 HG21 ' HA ' ' A' ' 67' ' ' PRO . 13.8 m -144.42 -112.53 0.1 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 115.333 -2.27 . . . . 0.0 113.397 -178.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 1.386 ' C ' HG13 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -72.12 -147.99 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 128.502 3.626 . . . . 0.0 110.355 179.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 1.279 ' CB ' ' HA2' ' A' ' 43' ' ' GLY . . . 104.2 76.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.685 ' O ' ' CB ' ' A' ' 9' ' ' SER . 2.9 m 81.81 58.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.007 ' HB2' ' CD ' ' A' ' 10' ' ' PRO . 38.1 p 102.03 -150.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 1.007 ' CD ' ' HB2' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.97 -22.58 14.72 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 111.035 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.386 HG13 ' C ' ' A' ' 6' ' ' THR . 0.0 OUTLIER 52.86 -152.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER -177.64 39.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.065 . . . . 0.0 110.006 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.841 ' HB1' ' HD2' ' A' ' 4' ' ' HIS 0.324 . . 99.74 -35.19 0.01 OUTLIER 'General case' 0 C--O 1.179 -2.632 1 CA-C-O 107.536 -5.983 . . . . 0.0 107.241 179.797 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.86 ' CG2' HG22 ' A' ' 11' ' ' ILE . 48.6 t 3.76 -78.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.977 0 O-C-N 128.778 3.799 . . . . 0.0 109.293 -179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.85 HG22 ' O ' ' A' ' 3' ' ' CYS . 24.4 p 107.04 21.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.558 ' CB ' ' HB3' ' A' ' 44' ' ' CYS . 31.4 p 65.82 -146.78 0.0 OUTLIER Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 127.278 2.861 . . . . 0.0 108.5 176.985 64.05 131.767 41.037 104.811 2.566 54.838 -170.185 -176.052 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 1.308 ' HB2' ' CD ' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -79.88 -144.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.868 0 CA-C-N 121.301 1.5 . . . . 0.0 111.032 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 1.308 ' CD ' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.11 -113.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.4 ' H ' ' HB2' ' A' ' 18' ' ' PRO . . . 76.95 -23.1 2.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.42 1.075 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.81 ' O ' ' HB3' ' A' ' 21' ' ' ASN . 3.5 mp0 65.91 62.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.81 ' HB3' ' O ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 98.82 146.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.865 ' HG ' ' O ' ' A' ' 60' ' ' CYS . 0.4 OUTLIER 93.87 155.23 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.944 0 O-C-N 117.832 -3.043 . . . . 0.0 110.814 -175.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.831 ' SG ' HG13 ' A' ' 2' ' ' VAL . 56.6 m -160.46 106.49 1.51 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 112.502 -2.135 . . . . 0.0 108.304 -179.23 -75.082 -163.843 -68.618 75.969 2.087 100.117 -76.572 66.588 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.161 ' CD1' ' O ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -60.59 112.53 2.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 110.965 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.82 ' HB3' HG22 ' A' ' 58' ' ' THR . 3.0 ttt180 -97.75 126.93 43.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.137 ' CG ' HG13 ' A' ' 57' ' ' VAL . 38.3 tttt -149.79 152.37 35.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.811 ' O ' ' HB2' ' A' ' 28' ' ' TRP . 6.9 tpt 84.3 166.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.94 ' HA ' ' CG1' ' A' ' 40' ' ' VAL . 1.8 t90 161.79 -42.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.717 ' O ' ' N ' ' A' ' 31' ' ' ALA . 2.2 t -113.04 62.48 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.307 179.997 161.652 173.97 -128.077 132.41 1.636 108.579 -12.107 -64.973 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.837 ' CB ' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER 12.04 -79.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 29' ' ' CYS . . . 174.25 -0.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.369 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.837 ' CZ ' ' CB ' ' A' ' 30' ' ' ASP . 0.0 OUTLIER -112.71 -2.01 14.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.594 ' C ' ' O ' ' A' ' 32' ' ' PHE . 92.4 m 25.53 46.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.33 -179.975 -64.973 -12.107 -128.077 108.579 1.636 132.41 173.97 161.652 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.813 ' O ' ' HB2' ' A' ' 35' ' ' SER . 0.6 OUTLIER -91.79 27.69 2.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.042 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.813 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.1 OUTLIER 98.63 -175.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.436 ' HB3' ' CE ' ' A' ' 70' ' ' LYS . 15.3 mtp180 59.74 -135.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.01 89.0 0.68 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.691 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 2.4 ttpp -146.33 16.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -119.38 77.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.94 ' CG1' ' HA ' ' A' ' 28' ' ' TRP . 3.7 m -104.5 -167.66 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.729 ' HG2' ' HE1' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -129.7 -41.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.029 ' HB2' ' HB2' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -14.18 87.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.371 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 1.279 ' HA2' ' CB ' ' A' ' 7' ' ' ALA . . . -144.1 8.38 1.93 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.052 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 1.558 ' HB3' ' CB ' ' A' ' 16' ' ' CYS . 42.2 t 44.14 149.14 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 126.427 3.013 . . . . 0.0 117.395 -173.293 -176.052 -170.185 41.037 54.838 2.566 104.811 131.767 64.05 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.786 ' O ' ' CB ' ' A' ' 46' ' ' ALA . . . -151.84 39.47 0.62 Allowed 'General case' 0 C--N 1.322 -0.604 1 CA-C-N 106.448 -4.887 . . . . 0.0 109.236 -173.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.786 ' CB ' ' O ' ' A' ' 45' ' ' ALA . . . 131.63 -98.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.588 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.0 OUTLIER -135.09 48.73 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.558 ' CB ' HD21 ' A' ' 22' ' ' LEU . 17.9 t 38.38 88.22 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.336 -179.898 170.871 -148.783 -157.429 97.715 1.552 112.69 86.352 -146.721 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 50' ' ' SER . 18.0 Cg_endo -74.96 7.97 2.61 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.426 1.75 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.521 ' C ' ' HG3' ' A' ' 51' ' ' LYS . 3.0 p 81.3 -53.54 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 1.069 ' HE2' ' CD1' ' A' ' 24' ' ' TYR . 7.9 mttp 79.08 -133.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' O ' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -126.9 178.36 1.6 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.678 ' O ' ' O ' ' A' ' 54' ' ' TYR . 18.4 Cg_endo -74.97 -72.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.508 1.794 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.987 ' CE2' ' HB2' ' A' ' 55' ' ' GLU . 0.1 OUTLIER 33.35 -166.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.501 1.126 . . . . 0.0 111.009 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.987 ' HB2' ' CE2' ' A' ' 54' ' ' TYR . 27.1 mm-40 -19.09 -112.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.653 ' HG3' ' HB3' ' A' ' 28' ' ' TRP . 1.7 mm-40 -117.79 151.62 36.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.137 HG13 ' CG ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -158.18 -178.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.92 HG23 ' N ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER 170.66 -158.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.404 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.92 ' N ' HG23 ' A' ' 58' ' ' THR . 1.0 OUTLIER 178.76 111.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.332 -179.996 -146.721 86.352 -157.429 112.69 1.552 97.715 -148.783 170.871 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.865 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -118.19 -159.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.619 1.199 . . . . 0.0 108.244 -179.983 -116.367 -174.615 -21.316 114.826 2.164 77.706 -179.431 -98.272 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.814 ' HB3' ' O ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER 153.01 47.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.762 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -133.14 34.61 3.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.423 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.762 ' CB ' ' O ' ' A' ' 62' ' ' THR . 8.8 t0 112.86 -33.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 1.04 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 177.76 173.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.975 ' N ' ' HG3' ' A' ' 64' ' ' LYS . 1.2 m 158.26 48.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 108.279 -179.891 -98.272 -179.431 -21.316 77.706 2.164 114.826 -174.615 -116.367 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.065 HD21 ' HB2' ' A' ' 3' ' ' CYS . 3.2 p30 -164.53 52.6 0.3 Allowed Pre-proline 0 C--N 1.292 -1.913 0 O-C-N 125.654 1.846 . . . . 0.0 109.0 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.979 ' HA ' HG21 ' A' ' 5' ' ' THR . 18.3 Cg_endo -76.83 -142.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.712 2.275 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.668 ' CD2' ' OG1' ' A' ' 6' ' ' THR . 6.4 p80 163.78 122.63 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.594 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 71' ' ' GLN . 18.0 Cg_endo -75.03 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.766 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' HZ2' ' HB3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER 50.83 -91.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.642 ' NE2' ' CE1' ' A' ' 68' ' ' HIS . 35.9 mt-30 64.12 -155.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.407 1.067 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.477 ' H ' ' HB3' ' A' ' 71' ' ' GLN . 0.5 OUTLIER -151.71 121.68 3.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 43.89 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.487 1.783 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.42 ' H ' ' C ' ' A' ' 72' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.118 . . . . 99.99 110.997 -179.98 . . . . . . . . 1 1 . 1 stop_ save_