data_1ocd_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 1ocd _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' ' ' GLY . . . . . 0.526 ' HA3' ' CB ' ' A' ' 96' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.457 -1.457 . . . . 1.81 109.457 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.451 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -162.88 159.78 24.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -1.145 . . . . 1.37 109.589 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 74.7 t -107.75 -68.05 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.26 -0.9 . . . . 1.17 109.274 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -61.73 -28.85 69.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 2.41 109.256 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' O ' HG12 ' A' ' 9' ' ' ILE . 6.4 tptt -64.36 -67.62 0.42 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.203 -0.935 . . . . 2.63 108.825 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 93' ' ' ASP . . . -65.3 -10.28 47.14 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.967 -1.653 . . . . 0.24 108.967 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.628 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 70.9 tttt -72.56 -32.32 65.96 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.517 -1.29 . . . . 2.22 107.517 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 8.1 tttt -90.03 -31.66 17.09 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.394 -0.965 . . . . 2.73 108.394 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 5' ' ' LYS . 7.1 mm -68.11 -31.67 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.645 -0.872 . . . . 1.11 108.645 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.646 ' HZ ' ' H1 ' ' A' ' 200' ' ' HOH . 79.4 t80 -81.02 -55.1 5.0 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.802 -0.561 . . . . 0.29 110.337 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.502 ' HA ' ' CB ' ' A' ' 15' ' ' ALA . 3.7 t -68.82 -5.86 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.552 -0.718 . . . . 1.08 110.647 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.518 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 19.0 pt20 -100.08 -36.63 9.28 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.995 -1.065 . . . . 2.2 110.079 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -107.68 -55.7 2.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 2.15 111.562 -178.287 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -101.92 40.96 1.26 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.671 -1.268 . . . . 0.8 110.073 -178.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 11' ' ' VAL . . . -90.19 -34.9 15.65 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.903 -1.123 . . . . 1.06 109.708 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.516 ' O ' ' HB ' ' A' ' 28' ' ' THR . 58.5 tt0 -85.54 -2.98 58.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.059 -1.026 . . . . 2.01 110.486 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.541 ' CA ' ' HA3' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -131.67 -9.68 3.57 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 120.999 -1.063 . . . . 0.43 110.021 -179.307 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.607 ' O ' ' CZ ' ' A' ' 10' ' ' PHE . 53.6 m-70 -138.92 106.28 5.53 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.924 -1.11 . . . . 0.68 108.794 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 3.8 p -97.67 134.64 40.58 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.342 -0.849 . . . . 1.11 110.65 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.602 ' CG1' ' CE2' ' A' ' 10' ' ' PHE . 1.9 p -136.19 -55.26 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.251 -0.906 . . . . 1.44 109.312 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.69 -10.24 43.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 2.55 109.514 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.12 -37.75 18.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.208 -0.932 . . . . 4.11 109.346 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.99 -47.61 0.08 OUTLIER Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.569 -1.412 . . . . 1.46 109.569 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . 98.46 25.72 9.86 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.315 -1.514 . . . . 0.65 109.315 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -90.03 174.84 7.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.154 -1.203 . . . . 2.88 109.577 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.539 ' ND1' ' HB2' ' A' ' 46' ' ' PHE . 8.4 m-70 -87.41 58.92 5.22 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.207 -1.405 . . . . 2.21 107.207 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' O ' ' O ' ' A' ' 26' ' ' HIS . 11.5 tttt -58.62 -142.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.154 -0.684 . . . . 2.69 109.154 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -53.5 -22.22 7.7 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 120.477 -1.39 . . . . 1.12 107.44 178.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' HA3' ' CA ' ' A' ' 17' ' ' CYS . . . -143.18 170.81 25.26 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 109.57 -1.412 . . . . 0.92 109.57 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 4.9 Cg_endo -71.87 136.73 28.21 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 123.068 2.512 . . . . 0.32 111.78 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.828 ' HA ' ' H2 ' ' A' ' 200' ' ' HOH . 20.0 p-10 -71.41 -172.57 0.77 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 1.99 109.957 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.585 ' CG ' ' HG ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -115.04 42.19 2.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.327 -0.858 . . . . 2.3 109.775 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 33' ' ' HIS . 16.5 t-160 -77.77 3.88 13.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.932 -1.105 . . . . 2.61 109.565 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.518 ' N ' ' OE1' ' A' ' 42' ' ' GLN . . . -113.19 -13.51 10.76 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.831 -1.708 . . . . 1.03 108.831 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.648 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -47.72 175.81 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -1.074 . . . . 1.61 109.618 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.678 ' CD2' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -2.41 72.1 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.297 0 CA-C-N 115.878 -0.601 . . . . 2.18 111.86 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -155.78 12.04 0.38 Allowed Glycine 0 N--CA 1.492 2.389 0 C-N-CA 119.234 -1.46 . . . . 1.41 111.082 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 37' ' ' GLY . 5.1 ttt85 81.49 -42.63 0.16 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.318 -1.107 . . . . 4.04 110.288 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -95.04 132.62 39.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.877 -1.139 . . . . 3.51 109.568 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.607 HG23 HG13 ' A' ' 57' ' ' ILE . 1.2 p -100.04 -61.99 1.3 Allowed 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.276 -1.009 . . . . 1.13 108.276 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 52' ' ' ASN . . . -65.6 84.4 0.08 OUTLIER Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.086 -1.606 . . . . 1.21 109.086 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.518 ' OE1' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -55.51 -101.01 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.12 -1.224 . . . . 2.0 110.027 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.701 ' N ' ' H1 ' ' A' ' 203' ' ' HOH . . . -104.93 89.19 2.74 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 1.15 108.603 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.571 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . 3.7 Cg_exo -48.01 -17.87 0.97 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.798 2.332 . . . . 0.47 111.801 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.33 -20.22 4.88 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.122 -1.591 . . . . 1.07 109.122 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.539 ' HB2' ' ND1' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -64.29 -109.32 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.234 -1.157 . . . . 1.32 109.687 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.498 ' N ' ' CG ' ' A' ' 46' ' ' PHE . 2.9 t -150.47 18.67 0.83 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.762 -1.211 . . . . 1.14 110.405 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.539 ' CD2' ' CG ' ' A' ' 52' ' ' ASN . 9.6 m-30 -44.23 157.94 0.05 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.912 -1.117 . . . . 1.99 109.751 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.54 ' CG2' ' O ' ' A' ' 77' ' ' GLY . 5.8 t -78.57 -155.31 0.08 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.926 -1.138 . . . . 1.47 107.926 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' N ' ' CG2' ' A' ' 49' ' ' THR . 0.6 OUTLIER -90.04 54.7 2.88 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.953 -1.092 . . . . 2.24 108.103 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 55' ' ' LYS . . . -167.32 -57.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.085 -1.009 . . . . 1.09 110.313 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.633 ' HB2' ' H1 ' ' A' ' 201' ' ' HOH . 1.0 OUTLIER -71.31 -32.22 68.36 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 106.469 -1.678 . . . . 1.89 106.469 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.571 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -40.97 -64.75 0.5 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.361 -0.836 . . . . 2.23 108.877 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' A' ' 55' ' ' LYS . 13.3 t-20 -126.86 42.41 3.33 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.897 -1.149 . . . . 2.14 107.897 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -54.87 -152.48 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.838 0.828 . . . . 2.05 110.874 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.82 14.48 0.07 OUTLIER Glycine 0 N--CA 1.495 2.626 0 C-N-CA 120.385 -0.912 . . . . 1.14 111.174 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.64 HD13 ' CZ2' ' A' ' 59' ' ' TRP . 3.2 pt -89.66 -151.85 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.754 -1.439 . . . . 1.09 107.564 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.57 ' O ' ' CD2' ' A' ' 59' ' ' TRP . 1.2 m -141.28 -164.01 1.67 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.634 -1.247 . . . . 1.12 107.634 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.64 ' CZ2' HD13 ' A' ' 57' ' ' ILE . 15.0 m95 -145.57 50.32 1.21 Allowed 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.343 -1.343 . . . . 0.28 112.188 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 4.4 tptt -89.98 -132.06 0.1 Allowed 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.21 -1.774 . . . . 2.71 106.21 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -80.52 -85.85 0.09 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.414 -1.429 . . . . 2.01 110.915 179.111 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.532 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 65.6 tt0 -32.84 -40.82 0.06 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.769 -1.207 . . . . 1.25 110.665 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.742 HG21 ' H2 ' ' A' ' 204' ' ' HOH . 0.1 OUTLIER -71.03 -50.05 38.23 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.816 -1.179 . . . . 1.22 107.816 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 66' ' ' GLU . 94.2 mt -81.79 -65.9 0.95 Allowed 'General case' 0 C--N 1.306 -1.313 0 C-N-CA 118.024 -1.471 . . . . 1.09 108.333 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' GLU . 2.1 ttp -30.28 -35.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.148 0.499 . . . . 2.35 109.725 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.9 mm-40 -76.97 -64.21 1.18 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.438 -1.319 . . . . 1.56 107.438 178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CE2' ' CE1' ' A' ' 74' ' ' TYR . 1.3 t80 -40.71 -67.57 0.23 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.66 -0.65 . . . . 0.33 110.076 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.537 ' CD1' ' HA ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -32.11 -53.77 0.29 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 122.069 -0.394 . . . . 2.44 111.258 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -43.8 -59.76 2.1 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.109 -0.994 . . . . 1.73 108.508 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -150.11 124.34 4.58 Favored Pre-proline 0 C--N 1.3 -1.545 0 N-CA-C 107.644 -1.243 . . . . 1.92 107.644 178.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.586 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 3.0 Cg_exo -51.64 -78.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 121.614 1.542 . . . . 0.41 110.981 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' CB ' ' HA ' ' A' ' 76' ' ' PRO . 73.4 mttt -39.8 -28.45 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.035 -1.041 . . . . 2.0 111.162 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.544 ' CE ' ' O ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -52.61 -54.03 38.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.578 -1.326 . . . . 1.63 109.564 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.729 ' CE1' ' CE2' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -63.24 -34.74 78.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.8 -1.188 . . . . 2.18 108.548 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.604 ' HB ' ' CZ ' ' A' ' 74' ' ' TYR . 9.0 mm -161.35 92.67 1.45 Allowed Pre-proline 0 N--CA 1.489 1.517 0 N-CA-C 108.319 -0.993 . . . . 1.76 108.319 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 72' ' ' LYS . 6.0 Cg_exo -62.04 -10.54 18.15 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 121.718 1.612 . . . . 0.37 111.047 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.54 ' O ' ' CG2' ' A' ' 49' ' ' THR . . . -82.24 7.39 64.14 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 108.181 -1.968 . . . . 0.95 108.181 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 72' ' ' LYS . 1.7 t -74.74 177.44 6.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.495 -1.003 . . . . 1.07 108.915 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -123.43 26.88 7.69 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.814 . . . . 3.08 109.066 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.48 ' HE1' ' CG ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -133.57 151.83 51.79 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.253 -0.905 . . . . 1.7 110.346 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.528 ' HA ' ' HG2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -146.66 143.24 20.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.764 -0.828 . . . . 2.07 108.764 178.488 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CZ ' ' HA3' ' A' ' 84' ' ' GLY . 1.9 t80 179.91 107.92 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 107.786 -1.19 . . . . 2.19 107.786 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.46 73.23 1.02 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.1 -1.0 . . . . 1.19 109.197 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.58 ' HA3' ' CZ ' ' A' ' 82' ' ' PHE . . . -108.15 -70.98 0.71 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.36 -1.096 . . . . 0.95 110.36 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.524 HD11 ' CD1' ' A' ' 94' ' ' LEU . 3.2 mt -85.49 52.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.04 -1.271 . . . . 1.26 109.539 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 69' ' ' GLU . 19.9 ttpt -85.89 -11.68 52.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.137 -0.977 . . . . 2.28 109.77 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 86' ' ' LYS . 32.1 mttt -48.33 -99.73 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.237 -0.914 . . . . 2.92 109.765 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.525 ' CA ' ' HG3' ' A' ' 91' ' ' ARG . 3.5 ttmt 179.98 -73.83 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.816 -1.178 . . . . 3.26 110.03 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' LYS . 14.9 p -42.28 -64.78 0.54 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.298 -0.876 . . . . 1.55 109.142 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' ARG . 97.8 mt-10 -50.34 -44.52 54.52 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.299 -0.876 . . . . 2.07 108.802 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.537 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . 1.4 mtm-85 -44.1 -55.17 4.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.257 -0.902 . . . . 3.25 109.616 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.77 -52.5 40.16 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.221 -0.924 . . . . 2.07 109.022 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.474 ' HB3' ' HB3' ' A' ' 5' ' ' LYS . 15.5 m-20 -46.26 -45.44 17.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 1.65 109.005 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.524 ' CD1' HD11 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -53.7 -54.65 34.98 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.752 0.787 . . . . 1.5 109.961 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.591 HG21 ' CE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -57.01 -76.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.214 -0.929 . . . . 1.12 109.853 -179.033 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.526 ' CB ' ' HA3' ' A' ' 1' ' ' GLY . . . -35.78 -61.77 0.45 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.347 -0.845 . . . . 1.06 110.757 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.644 ' CD2' ' N ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -39.74 -64.42 0.49 Allowed 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.988 0.899 . . . . 0.77 108.902 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.644 ' N ' ' CD2' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -48.4 -46.43 37.29 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.659 -0.7 . . . . 1.72 110.782 -179.663 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.678 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 25.6 tttt -39.89 -53.01 2.36 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.456 -0.777 . . . . 2.6 110.351 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.468 ' HA ' ' HB2' ' A' ' 103' ' ' ASN . 9.5 mttt -97.33 -9.15 28.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.155 -0.966 . . . . 3.17 110.584 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.533 ' CB ' HG23 ' A' ' 20' ' ' VAL . . . -70.53 -55.16 9.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.771 -1.206 . . . . 1.04 108.865 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.574 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.98 9.25 4.48 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.387 -0.821 . . . . 1.12 109.218 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.468 ' HB2' ' HA ' ' A' ' 100' ' ' LYS . 8.0 t30 -89.63 5.59 45.03 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.302 -1.37 . . . . 1.98 107.302 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 103' ' ' ASN . 19.7 tt0 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 118.019 -0.991 . . . . 2.15 109.898 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HEC . . . . . 0.596 HAA1 ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' HOH . . . . . 0.828 ' H2 ' ' HA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HOH . . . . . 0.633 ' H1 ' ' HB2' ' A' ' 52' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' HOH . . . . . 0.701 ' H1 ' ' N ' ' A' ' 43' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' HOH . . . . . 0.742 ' H2 ' HG21 ' A' ' 63' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.524 ' HA3' ' CB ' ' A' ' 96' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.457 -1.457 . . . . 1.3 109.457 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -162.88 159.78 24.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -1.145 . . . . 1.3700000000000001 109.589 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 74.7 t -107.75 -68.05 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.26 -0.9 . . . . 0.47999999999999998 109.274 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -61.73 -28.85 69.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 2.4100000000000001 109.256 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' O ' HG12 ' A' ' 9' ' ' ILE . 6.4 tptt -64.36 -67.62 0.42 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.203 -0.935 . . . . 2.1400000000000001 108.825 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 97' ' ' TYR . . . -65.3 -10.28 47.14 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.967 -1.653 . . . . 0.23000000000000001 108.967 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.686 ' O ' HG23 ' A' ' 11' ' ' VAL . 70.9 tttt -72.56 -32.32 65.96 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.517 -1.29 . . . . 1.73 107.517 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 8.1 tttt -90.03 -31.66 17.09 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.394 -0.965 . . . . 2.2799999999999998 108.394 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.586 HG22 HD13 ' A' ' 85' ' ' ILE . 7.1 mm -68.11 -31.67 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.645 -0.872 . . . . 0.34000000000000002 108.645 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.935 ' CE2' HG12 ' A' ' 20' ' ' VAL . 79.4 t80 -81.02 -55.1 5.0 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.802 -0.561 . . . . 0.23000000000000001 110.337 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.891 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 3.7 t -68.82 -5.86 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.552 -0.718 . . . . 0.34999999999999998 110.647 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 19.0 pt20 -100.08 -36.63 9.28 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.995 -1.065 . . . . 1.6100000000000001 110.079 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -107.68 -55.7 2.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 1.6499999999999999 111.562 -178.287 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -101.92 40.96 1.26 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.671 -1.268 . . . . 0.80000000000000004 110.073 -178.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.891 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -90.19 -34.9 15.65 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.903 -1.123 . . . . 0.26000000000000001 109.708 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.546 ' HG2' HG21 ' A' ' 28' ' ' THR . 58.5 tt0 -85.54 -2.98 58.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.059 -1.026 . . . . 1.25 110.486 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.535 ' CA ' ' HA3' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -131.67 -9.68 3.57 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 120.999 -1.063 . . . . 0.42999999999999999 110.021 -179.307 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.607 ' O ' ' CZ ' ' A' ' 10' ' ' PHE . 53.6 m-70 -138.92 106.28 5.53 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.924 -1.11 . . . . 0.40999999999999998 108.794 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 3.8 p -97.67 134.64 40.58 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.342 -0.849 . . . . 0.33000000000000002 110.65 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.0 HG23 ' OG1' ' A' ' 102' ' ' THR . 1.9 p -136.19 -55.26 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.251 -0.906 . . . . 0.81000000000000005 109.312 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.634 ' H ' HG13 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -90.69 -10.24 43.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 2.5499999999999998 109.514 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.12 -37.75 18.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.208 -0.932 . . . . 3.6899999999999999 109.346 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.99 -47.61 0.08 OUTLIER Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.569 -1.412 . . . . 0.92000000000000004 109.569 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . 98.46 25.72 9.86 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.315 -1.514 . . . . 0.41999999999999998 109.315 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -90.03 174.84 7.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.154 -1.203 . . . . 2.46 109.577 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.539 ' ND1' ' HB2' ' A' ' 46' ' ' PHE . 8.4 m-70 -87.41 58.92 5.22 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.207 -1.405 . . . . 1.3500000000000001 107.207 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' O ' ' O ' ' A' ' 26' ' ' HIS . 11.5 tttt -58.62 -142.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.154 -0.684 . . . . 2.2000000000000002 109.154 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.546 HG21 ' HG2' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -53.5 -22.22 7.7 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 120.477 -1.39 . . . . 0.37 107.44 178.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.535 ' HA3' ' CA ' ' A' ' 17' ' ' CYS . . . -143.18 170.81 25.26 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 109.57 -1.412 . . . . 0.28999999999999998 109.57 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 4.9 Cg_endo -71.87 136.73 28.21 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 123.068 2.512 . . . . 0.32000000000000001 111.78 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.545 ' ND2' ' HB2' ' A' ' 33' ' ' HIS . 20.0 p-10 -71.41 -172.57 0.77 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 1.29 109.957 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.826 HD12 ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -115.04 42.19 2.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.327 -0.858 . . . . 1.71 109.775 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.545 ' HB2' ' ND2' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -77.77 3.88 13.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.932 -1.105 . . . . 1.9099999999999999 109.565 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.677 ' N ' ' NE2' ' A' ' 42' ' ' GLN . . . -113.19 -13.51 10.76 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.831 -1.708 . . . . 0.38 108.831 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.826 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -47.72 175.81 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -1.074 . . . . 0.68999999999999995 109.618 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.918 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -2.41 72.1 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.297 0 CA-C-N 115.878 -0.601 . . . . 1.28 111.86 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -155.78 12.04 0.38 Allowed Glycine 0 N--CA 1.492 2.389 0 C-N-CA 119.234 -1.46 . . . . 1.4099999999999999 111.082 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.777 ' HA ' HG23 ' A' ' 58' ' ' THR . 5.1 ttt85 81.49 -42.63 0.16 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.318 -1.107 . . . . 3.4199999999999999 110.288 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -95.04 132.62 39.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.877 -1.139 . . . . 3.1000000000000001 109.568 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 1.038 HG21 HG12 ' A' ' 57' ' ' ILE . 1.2 p -100.04 -61.99 1.3 Allowed 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.276 -1.009 . . . . 0.35999999999999999 108.276 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 52' ' ' ASN . . . -65.6 84.4 0.08 OUTLIER Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.086 -1.606 . . . . 1.21 109.086 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.677 ' NE2' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -55.51 -101.01 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.12 -1.224 . . . . 1.8100000000000001 110.027 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . . . -104.93 89.19 2.74 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 0.40000000000000002 108.603 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . 3.7 Cg_exo -48.01 -17.87 0.97 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.798 2.332 . . . . 0.42999999999999999 111.801 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.33 -20.22 4.88 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.122 -1.591 . . . . 0.46000000000000002 109.122 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.539 ' HB2' ' ND1' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -64.29 -109.32 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.234 -1.157 . . . . 0.87 109.687 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.498 ' N ' ' CG ' ' A' ' 46' ' ' PHE . 2.9 t -150.47 18.67 0.83 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.762 -1.211 . . . . 0.41999999999999998 110.405 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' HB3' ' N ' ' A' ' 53' ' ' LYS . 9.6 m-30 -44.23 157.94 0.05 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.912 -1.117 . . . . 1.1899999999999999 109.751 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.769 HG21 ' O ' ' A' ' 77' ' ' GLY . 5.8 t -78.57 -155.31 0.08 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.926 -1.138 . . . . 0.91000000000000003 107.926 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.652 ' N ' HG23 ' A' ' 49' ' ' THR . 0.6 OUTLIER -90.04 54.7 2.88 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.953 -1.092 . . . . 2.2400000000000002 108.103 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 55' ' ' LYS . . . -167.32 -57.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.085 -1.009 . . . . 0.33000000000000002 110.313 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.539 ' CG ' ' CD2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -71.31 -32.22 68.36 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 106.469 -1.678 . . . . 1.6599999999999999 106.469 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.605 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -40.97 -64.75 0.5 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.361 -0.836 . . . . 1.6799999999999999 108.877 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' A' ' 55' ' ' LYS . 13.3 t-20 -126.86 42.41 3.33 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.897 -1.149 . . . . 1.6000000000000001 107.897 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -54.87 -152.48 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.838 0.828 . . . . 1.55 110.874 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.82 14.48 0.07 OUTLIER Glycine 0 N--CA 1.495 2.626 0 C-N-CA 120.385 -0.912 . . . . 0.40999999999999998 111.174 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 1.038 HG12 HG21 ' A' ' 40' ' ' THR . 3.2 pt -89.66 -151.85 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.754 -1.439 . . . . 0.35999999999999999 107.564 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.777 HG23 ' HA ' ' A' ' 38' ' ' ARG . 1.2 m -141.28 -164.01 1.67 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.634 -1.247 . . . . 0.58999999999999997 107.634 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.659 ' H ' HG22 ' A' ' 58' ' ' THR . 15.0 m95 -145.57 50.32 1.21 Allowed 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.343 -1.343 . . . . 0.26000000000000001 112.188 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 4.4 tptt -89.98 -132.06 0.1 Allowed 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.21 -1.774 . . . . 2.2999999999999998 106.21 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -80.52 -85.85 0.09 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.414 -1.429 . . . . 2.0099999999999998 110.915 179.111 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.532 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 65.6 tt0 -32.84 -40.82 0.06 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.769 -1.207 . . . . 1.25 110.665 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -71.03 -50.05 38.23 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.816 -1.179 . . . . 0.56999999999999995 107.816 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.707 ' CB ' HD11 ' A' ' 95' ' ' ILE . 94.2 mt -81.79 -65.9 0.95 Allowed 'General case' 0 C--N 1.306 -1.313 0 C-N-CA 118.024 -1.471 . . . . 0.28999999999999998 108.333 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' GLU . 2.1 ttp -30.28 -35.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.148 0.499 . . . . 1.8500000000000001 109.725 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.9 mm-40 -76.97 -64.21 1.18 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.438 -1.319 . . . . 1.5600000000000001 107.438 178.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CE2' ' CE1' ' A' ' 74' ' ' TYR . 1.3 t80 -40.71 -67.57 0.23 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.66 -0.65 . . . . 0.31 110.076 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD13 ' CB ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -32.11 -53.77 0.29 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 122.069 -0.394 . . . . 1.8500000000000001 111.258 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -43.8 -59.76 2.1 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.109 -0.994 . . . . 1.73 108.508 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -150.11 124.34 4.58 Favored Pre-proline 0 C--N 1.3 -1.545 0 N-CA-C 107.644 -1.243 . . . . 1.53 107.644 178.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 3.0 Cg_exo -51.64 -78.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 121.614 1.542 . . . . 0.34999999999999998 110.981 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 76' ' ' PRO . 73.4 mttt -39.8 -28.45 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.035 -1.041 . . . . 1.48 111.162 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.544 ' CE ' ' O ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -52.61 -54.03 38.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.578 -1.326 . . . . 1.0800000000000001 109.564 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.729 ' CE1' ' CE2' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -63.24 -34.74 78.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.8 -1.188 . . . . 1.27 108.548 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 78' ' ' THR . 9.0 mm -161.35 92.67 1.45 Allowed Pre-proline 0 N--CA 1.489 1.517 0 N-CA-C 108.319 -0.993 . . . . 1.0700000000000001 108.319 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 72' ' ' LYS . 6.0 Cg_exo -62.04 -10.54 18.15 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 121.718 1.612 . . . . 0.34000000000000002 111.047 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.769 ' O ' HG21 ' A' ' 49' ' ' THR . . . -82.24 7.39 64.14 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 108.181 -1.968 . . . . 0.31 108.181 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.7 t -74.74 177.44 6.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.495 -1.003 . . . . 0.46999999999999997 108.915 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -123.43 26.88 7.69 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.814 . . . . 2.5699999999999998 109.066 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.486 ' CE ' ' HG3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -133.57 151.83 51.79 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.253 -0.905 . . . . 1.1200000000000001 110.346 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.556 ' HA ' ' HG2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -146.66 143.24 20.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.764 -0.828 . . . . 1.3100000000000001 108.764 178.488 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CZ ' ' HA3' ' A' ' 84' ' ' GLY . 1.9 t80 179.91 107.92 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 107.786 -1.19 . . . . 1.29 107.786 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.46 73.23 1.02 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.1 -1.0 . . . . 0.63 109.197 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.58 ' HA3' ' CZ ' ' A' ' 82' ' ' PHE . . . -108.15 -70.98 0.71 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.36 -1.096 . . . . 0.34000000000000002 110.36 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.106 HD12 HBB1 ' A' ' 105' ' ' HEC . 3.2 mt -85.49 52.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.04 -1.271 . . . . 0.65000000000000002 109.539 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 69' ' ' GLU . 19.9 ttpt -85.89 -11.68 52.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.137 -0.977 . . . . 1.78 109.77 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 86' ' ' LYS . 32.1 mttt -48.33 -99.73 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.237 -0.914 . . . . 2.46 109.765 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.528 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 3.5 ttmt 179.98 -73.83 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.816 -1.178 . . . . 2.8399999999999999 110.03 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' LYS . 14.9 p -42.28 -64.78 0.54 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.298 -0.876 . . . . 0.90000000000000002 109.142 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' ARG . 97.8 mt-10 -50.34 -44.52 54.52 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.299 -0.876 . . . . 2.0699999999999998 108.802 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.576 ' CB ' HD13 ' A' ' 68' ' ' LEU . 1.4 mtm-85 -44.1 -55.17 4.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.257 -0.902 . . . . 2.7400000000000002 109.616 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.77 -52.5 40.16 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.221 -0.924 . . . . 2.0699999999999998 109.022 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 97' ' ' TYR . 15.5 m-20 -46.26 -45.44 17.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 1.6499999999999999 109.005 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.8 HD21 ' HD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -53.7 -54.65 34.98 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.752 0.787 . . . . 0.78000000000000003 109.961 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.918 HG23 ' CE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -57.01 -76.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.214 -0.929 . . . . 0.47999999999999998 109.853 -179.033 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.732 ' N ' HG22 ' A' ' 95' ' ' ILE . . . -35.78 -61.77 0.45 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.347 -0.845 . . . . 0.23999999999999999 110.757 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.693 ' CE2' HD22 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -39.74 -64.42 0.49 Allowed 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.988 0.899 . . . . 0.31 108.902 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.693 HD22 ' CE2' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -48.4 -46.43 37.29 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.659 -0.7 . . . . 1.0800000000000001 110.782 -179.663 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.682 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 25.6 tttt -39.89 -53.01 2.36 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.456 -0.777 . . . . 2.1200000000000001 110.351 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HA ' ' HB2' ' A' ' 103' ' ' ASN . 9.5 mttt -97.33 -9.15 28.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.155 -0.966 . . . . 2.71 110.584 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.521 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -70.53 -55.16 9.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.771 -1.206 . . . . 0.28000000000000003 108.865 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 1.0 ' OG1' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.98 9.25 4.48 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.387 -0.821 . . . . 0.66000000000000003 109.218 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.508 ' HB2' ' HA ' ' A' ' 100' ' ' LYS . 8.0 t30 -89.63 5.59 45.03 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.302 -1.37 . . . . 1.54 107.302 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 103' ' ' ASN . 19.7 tt0 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 118.019 -0.991 . . . . 2.1499999999999999 109.898 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HEC . . . . . 1.106 HBB1 HD12 ' A' ' 85' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' HOH . . . . . 0.981 ' O ' HD12 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.524 ' HA3' ' CB ' ' A' ' 96' ' ' ALA . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.457 -1.457 . . . . 1.3 109.457 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -162.88 159.78 24.19 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.253 -1.145 . . . . 1.3700000000000001 109.589 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' ' HB2' ' A' ' 7' ' ' LYS . 74.7 t -107.75 -68.05 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.26 -0.9 . . . . 0.47999999999999998 109.274 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -61.73 -28.85 69.72 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.237 -0.914 . . . . 2.4100000000000001 109.256 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' O ' HG12 ' A' ' 9' ' ' ILE . 6.4 tptt -64.36 -67.62 0.42 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.203 -0.935 . . . . 2.1400000000000001 108.825 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.48 ' HA3' ' HB3' ' A' ' 97' ' ' TYR . . . -65.3 -10.28 47.14 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 108.967 -1.653 . . . . 0.23000000000000001 108.967 179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.686 ' O ' HG23 ' A' ' 11' ' ' VAL . 70.9 tttt -72.56 -32.32 65.96 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.517 -1.29 . . . . 1.73 107.517 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 12' ' ' GLN . 8.1 tttt -90.03 -31.66 17.09 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.394 -0.965 . . . . 2.2799999999999998 108.394 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.586 HG22 HD13 ' A' ' 85' ' ' ILE . 7.1 mm -68.11 -31.67 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 N-CA-C 108.645 -0.872 . . . . 0.34000000000000002 108.645 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.935 ' CE2' HG12 ' A' ' 20' ' ' VAL . 79.4 t80 -81.02 -55.1 5.0 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.802 -0.561 . . . . 0.23000000000000001 110.337 -178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.891 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 3.7 t -68.82 -5.86 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.552 -0.718 . . . . 0.34999999999999998 110.647 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.536 ' HG3' ' N ' ' A' ' 13' ' ' LYS . 19.0 pt20 -100.08 -36.63 9.28 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 120.995 -1.065 . . . . 1.6100000000000001 110.079 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.706 ' HB2' HD11 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -107.68 -55.7 2.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.132 -0.98 . . . . 1.6499999999999999 111.562 -178.287 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -101.92 40.96 1.26 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.671 -1.268 . . . . 0.80000000000000004 110.073 -178.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.891 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -90.19 -34.9 15.65 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.903 -1.123 . . . . 0.26000000000000001 109.708 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.546 ' HG2' HG21 ' A' ' 28' ' ' THR . 58.5 tt0 -85.54 -2.98 58.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.059 -1.026 . . . . 1.25 110.486 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.535 ' CA ' ' HA3' ' A' ' 29' ' ' GLY . 0.1 OUTLIER -131.67 -9.68 3.57 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 120.999 -1.063 . . . . 0.42999999999999999 110.021 -179.307 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.607 ' O ' ' CZ ' ' A' ' 10' ' ' PHE . 53.6 m-70 -138.92 106.28 5.53 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.924 -1.11 . . . . 0.40999999999999998 108.794 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 3.8 p -97.67 134.64 40.58 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.342 -0.849 . . . . 0.33000000000000002 110.65 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.0 HG23 ' OG1' ' A' ' 102' ' ' THR . 1.9 p -136.19 -55.26 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.251 -0.906 . . . . 0.81000000000000005 109.312 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.634 ' H ' HG13 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -90.69 -10.24 43.83 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 2.5499999999999998 109.514 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.12 -37.75 18.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.208 -0.932 . . . . 3.6899999999999999 109.346 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.99 -47.61 0.08 OUTLIER Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.569 -1.412 . . . . 0.92000000000000004 109.569 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . 98.46 25.72 9.86 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.315 -1.514 . . . . 0.41999999999999998 109.315 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -90.03 174.84 7.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.154 -1.203 . . . . 2.46 109.577 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.539 ' ND1' ' HB2' ' A' ' 46' ' ' PHE . 8.4 m-70 -87.41 58.92 5.22 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 107.207 -1.405 . . . . 1.3500000000000001 107.207 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.499 ' O ' ' O ' ' A' ' 26' ' ' HIS . 11.5 tttt -58.62 -142.21 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.154 -0.684 . . . . 2.2000000000000002 109.154 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.546 HG21 ' HG2' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -53.5 -22.22 7.7 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 120.477 -1.39 . . . . 0.37 107.44 178.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.535 ' HA3' ' CA ' ' A' ' 17' ' ' CYS . . . -143.18 170.81 25.26 Favored Glycine 0 N--CA 1.486 1.974 0 N-CA-C 109.57 -1.412 . . . . 0.28999999999999998 109.57 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.536 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 4.9 Cg_endo -71.87 136.73 28.21 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 123.068 2.512 . . . . 0.32000000000000001 111.78 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.545 ' ND2' ' HB2' ' A' ' 33' ' ' HIS . 20.0 p-10 -71.41 -172.57 0.77 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.265 -0.897 . . . . 1.29 109.957 178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.826 HD12 ' CD2' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -115.04 42.19 2.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.327 -0.858 . . . . 1.71 109.775 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 33' ' ' HIS . 16.5 t-160 -77.77 3.88 13.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.932 -1.105 . . . . 1.9099999999999999 109.565 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.518 ' N ' ' OE1' ' A' ' 42' ' ' GLN . . . -113.19 -13.51 10.76 Favored Glycine 0 N--CA 1.488 2.143 0 N-CA-C 108.831 -1.708 . . . . 0.38 108.831 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.826 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -47.72 175.81 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.375 -1.074 . . . . 0.68999999999999995 109.618 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.918 ' CE1' HG23 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -2.41 72.1 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.297 0 CA-C-N 115.878 -0.601 . . . . 1.28 111.86 179.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 38' ' ' ARG . . . -155.78 12.04 0.38 Allowed Glycine 0 N--CA 1.492 2.389 0 C-N-CA 119.234 -1.46 . . . . 1.4099999999999999 111.082 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.777 ' HA ' HG23 ' A' ' 58' ' ' THR . 5.1 ttt85 81.49 -42.63 0.16 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.318 -1.107 . . . . 3.4199999999999999 110.288 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -95.04 132.62 39.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.877 -1.139 . . . . 3.1000000000000001 109.568 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 1.038 HG21 HG12 ' A' ' 57' ' ' ILE . 1.2 p -100.04 -61.99 1.3 Allowed 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.276 -1.009 . . . . 0.35999999999999999 108.276 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 52' ' ' ASN . . . -65.6 84.4 0.08 OUTLIER Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.086 -1.606 . . . . 1.21 109.086 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.558 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -55.51 -101.01 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.12 -1.224 . . . . 1.8100000000000001 110.027 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . . . -104.93 89.19 2.74 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.217 -0.927 . . . . 0.40000000000000002 108.603 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.605 ' HB3' ' CG ' ' A' ' 53' ' ' LYS . 3.7 Cg_exo -48.01 -17.87 0.97 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.798 2.332 . . . . 0.42999999999999999 111.801 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.33 -20.22 4.88 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.122 -1.591 . . . . 0.46000000000000002 109.122 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.539 ' HB2' ' ND1' ' A' ' 26' ' ' HIS . 1.0 OUTLIER -64.29 -109.32 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.234 -1.157 . . . . 0.87 109.687 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.498 ' N ' ' CG ' ' A' ' 46' ' ' PHE . 2.9 t -150.47 18.67 0.83 Allowed 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.762 -1.211 . . . . 0.41999999999999998 110.405 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.565 ' HB3' ' N ' ' A' ' 53' ' ' LYS . 9.6 m-30 -44.23 157.94 0.05 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.912 -1.117 . . . . 1.1899999999999999 109.751 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.769 HG21 ' O ' ' A' ' 77' ' ' GLY . 5.8 t -78.57 -155.31 0.08 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.926 -1.138 . . . . 0.91000000000000003 107.926 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.652 ' N ' HG23 ' A' ' 49' ' ' THR . 0.6 OUTLIER -90.04 54.7 2.88 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.953 -1.092 . . . . 2.2400000000000002 108.103 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 55' ' ' LYS . . . -167.32 -57.25 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.085 -1.009 . . . . 0.33000000000000002 110.313 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.539 ' CG ' ' CD2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -71.31 -32.22 68.36 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 106.469 -1.678 . . . . 1.6599999999999999 106.469 179.308 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.605 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -40.97 -64.75 0.5 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 115.361 -0.836 . . . . 1.6799999999999999 108.877 178.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.486 ' O ' ' O ' ' A' ' 55' ' ' LYS . 13.3 t-20 -126.86 42.41 3.33 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 107.897 -1.149 . . . . 1.6000000000000001 107.897 179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.535 ' CG ' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -54.87 -152.48 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 CA-C-O 121.838 0.828 . . . . 1.55 110.874 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -166.82 14.48 0.07 OUTLIER Glycine 0 N--CA 1.495 2.626 0 C-N-CA 120.385 -0.912 . . . . 0.40999999999999998 111.174 -179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 1.038 HG12 HG21 ' A' ' 40' ' ' THR . 3.2 pt -89.66 -151.85 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 120.754 -1.439 . . . . 0.35999999999999999 107.564 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.777 HG23 ' HA ' ' A' ' 38' ' ' ARG . 1.2 m -141.28 -164.01 1.67 Allowed 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.634 -1.247 . . . . 0.58999999999999997 107.634 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.659 ' H ' HG22 ' A' ' 58' ' ' THR . 15.0 m95 -145.57 50.32 1.21 Allowed 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 118.343 -1.343 . . . . 0.26000000000000001 112.188 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 64' ' ' LEU . 4.4 tptt -89.98 -132.06 0.1 Allowed 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 106.21 -1.774 . . . . 2.2999999999999998 106.21 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 65' ' ' MET . 0.2 OUTLIER -80.52 -85.85 0.09 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.414 -1.429 . . . . 2.0099999999999998 110.915 179.111 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.532 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 65.6 tt0 -32.84 -40.82 0.06 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.769 -1.207 . . . . 1.25 110.665 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -71.03 -50.05 38.23 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 107.816 -1.179 . . . . 0.56999999999999995 107.816 178.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.707 ' CB ' HD11 ' A' ' 95' ' ' ILE . 94.2 mt -81.79 -65.9 0.95 Allowed 'General case' 0 C--N 1.306 -1.313 0 C-N-CA 118.024 -1.471 . . . . 0.28999999999999998 108.333 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.55 ' N ' ' O ' ' A' ' 61' ' ' GLU . 2.1 ttp -30.28 -35.44 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.148 0.499 . . . . 1.8500000000000001 109.725 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.582 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.9 mm-40 -76.97 -64.21 1.18 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.438 -1.319 . . . . 1.5600000000000001 107.438 178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.729 ' CE2' ' CE1' ' A' ' 74' ' ' TYR . 1.3 t80 -40.71 -67.57 0.23 Allowed 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.66 -0.65 . . . . 0.31 110.076 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD13 ' CB ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -32.11 -53.77 0.29 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 122.069 -0.394 . . . . 1.8500000000000001 111.258 -178.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.508 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -43.8 -59.76 2.1 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.109 -0.994 . . . . 1.73 108.508 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -150.11 124.34 4.58 Favored Pre-proline 0 C--N 1.3 -1.545 0 N-CA-C 107.644 -1.243 . . . . 1.53 107.644 178.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.56 ' HA ' ' CE1' ' A' ' 67' ' ' TYR . 3.0 Cg_exo -51.64 -78.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 121.614 1.542 . . . . 0.34999999999999998 110.981 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 76' ' ' PRO . 73.4 mttt -39.8 -28.45 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.035 -1.041 . . . . 1.48 111.162 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.544 ' CE ' ' O ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -52.61 -54.03 38.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.578 -1.326 . . . . 1.0800000000000001 109.564 -179.449 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.729 ' CE1' ' CE2' ' A' ' 67' ' ' TYR . 0.4 OUTLIER -63.24 -34.74 78.31 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.8 -1.188 . . . . 1.27 108.548 179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.722 ' O ' HG22 ' A' ' 78' ' ' THR . 9.0 mm -161.35 92.67 1.45 Allowed Pre-proline 0 N--CA 1.489 1.517 0 N-CA-C 108.319 -0.993 . . . . 1.0700000000000001 108.319 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.571 ' HA ' ' CB ' ' A' ' 72' ' ' LYS . 6.0 Cg_exo -62.04 -10.54 18.15 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 121.718 1.612 . . . . 0.34000000000000002 111.047 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.769 ' O ' HG21 ' A' ' 49' ' ' THR . . . -82.24 7.39 64.14 Favored Glycine 0 N--CA 1.485 1.922 0 N-CA-C 108.181 -1.968 . . . . 0.31 108.181 178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 75' ' ' ILE . 1.7 t -74.74 177.44 6.17 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.495 -1.003 . . . . 0.46999999999999997 108.915 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -123.43 26.88 7.69 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.397 -0.814 . . . . 2.5699999999999998 109.066 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.486 ' CE ' ' HG3' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -133.57 151.83 51.79 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.253 -0.905 . . . . 1.1200000000000001 110.346 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.556 ' HA ' ' HG2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -146.66 143.24 20.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 N-CA-C 108.764 -0.828 . . . . 1.3100000000000001 108.764 178.488 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CZ ' ' HA3' ' A' ' 84' ' ' GLY . 1.9 t80 179.91 107.92 0.03 OUTLIER 'General case' 0 C--N 1.291 -1.937 0 N-CA-C 107.786 -1.19 . . . . 1.29 107.786 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -105.46 73.23 1.02 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.1 -1.0 . . . . 0.63 109.197 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.58 ' HA3' ' CZ ' ' A' ' 82' ' ' PHE . . . -108.15 -70.98 0.71 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.36 -1.096 . . . . 0.34000000000000002 110.36 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.106 HD12 HBB1 ' A' ' 105' ' ' HEC . 3.2 mt -85.49 52.94 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.04 -1.271 . . . . 0.65000000000000002 109.539 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.508 ' HA ' ' HA ' ' A' ' 69' ' ' GLU . 19.9 ttpt -85.89 -11.68 52.6 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.137 -0.977 . . . . 1.78 109.77 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.487 ' O ' ' O ' ' A' ' 86' ' ' LYS . 32.1 mttt -48.33 -99.73 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.237 -0.914 . . . . 2.46 109.765 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.528 ' N ' ' HG3' ' A' ' 91' ' ' ARG . 3.5 ttmt 179.98 -73.83 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.816 -1.178 . . . . 2.8399999999999999 110.03 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 88' ' ' LYS . 14.9 p -42.28 -64.78 0.54 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.298 -0.876 . . . . 0.90000000000000002 109.142 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 91' ' ' ARG . 97.8 mt-10 -50.34 -44.52 54.52 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.299 -0.876 . . . . 2.0699999999999998 108.802 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.576 ' CB ' HD13 ' A' ' 68' ' ' LEU . 1.4 mtm-85 -44.1 -55.17 4.94 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.257 -0.902 . . . . 2.7400000000000002 109.616 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -50.77 -52.5 40.16 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.221 -0.924 . . . . 2.0699999999999998 109.022 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 97' ' ' TYR . 15.5 m-20 -46.26 -45.44 17.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.334 -0.854 . . . . 1.6499999999999999 109.005 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.8 HD21 ' HD1' ' A' ' 10' ' ' PHE . 0.5 OUTLIER -53.7 -54.65 34.98 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-O 121.752 0.787 . . . . 0.78000000000000003 109.961 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.918 HG23 ' CE1' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -57.01 -76.46 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 O-C-N 121.214 -0.929 . . . . 0.47999999999999998 109.853 -179.033 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.732 ' N ' HG22 ' A' ' 95' ' ' ILE . . . -35.78 -61.77 0.45 Allowed 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.347 -0.845 . . . . 0.23999999999999999 110.757 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.693 ' CE2' HD22 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -39.74 -64.42 0.49 Allowed 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.988 0.899 . . . . 0.31 108.902 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.693 HD22 ' CE2' ' A' ' 97' ' ' TYR . 0.0 OUTLIER -48.4 -46.43 37.29 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.659 -0.7 . . . . 1.0800000000000001 110.782 -179.663 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.682 ' HA ' ' CD2' ' A' ' 36' ' ' PHE . 25.6 tttt -39.89 -53.01 2.36 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.456 -0.777 . . . . 2.1200000000000001 110.351 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.508 ' HA ' ' HB2' ' A' ' 103' ' ' ASN . 9.5 mttt -97.33 -9.15 28.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.155 -0.966 . . . . 2.71 110.584 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.521 ' HB3' ' HA ' ' A' ' 98' ' ' LEU . . . -70.53 -55.16 9.54 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.771 -1.206 . . . . 0.28000000000000003 108.865 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 1.0 ' OG1' HG23 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -78.98 9.25 4.48 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.387 -0.821 . . . . 0.66000000000000003 109.218 179.498 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.508 ' HB2' ' HA ' ' A' ' 100' ' ' LYS . 8.0 t30 -89.63 5.59 45.03 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 107.302 -1.37 . . . . 1.54 107.302 177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 103' ' ' ASN . 19.7 tt0 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 118.019 -0.991 . . . . 2.1499999999999999 109.898 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HEC . . . . . 1.106 HBB1 HD12 ' A' ' 85' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.981 ' O ' HD12 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_