data_2m7y_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 2m7y _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.004 -0.838 . . . . 64.55 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.19 66.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 74.11 109.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.31 -64.99 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 74.3 110.401 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.03 41.23 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 74.11 109.317 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.437 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 5.9 mtt -106.02 159.86 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.34 110.977 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 5' ' ' MET . . . 167.9 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.44 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -39.4 -84.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 62.43 110.398 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.444 ' N ' ' OG1' ' A' ' 7' ' ' THR . 0.3 OUTLIER -141.89 -69.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 72.03 110.378 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -68.64 137.03 53.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.42 110.998 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.45 20.8 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 75.31 110.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 2.1 mt-30 -127.44 8.36 6.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 73.32 110.301 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' O ' ' CD1' ' A' ' 13' ' ' ILE . 2.9 mm-40 -55.23 -17.41 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 75.32 110.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 12' ' ' GLU . 4.0 mm -143.06 116.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 73.32 109.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -60.38 167.13 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 53.5 108.32 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.0 -3.21 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 73.52 109.346 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -87.69 31.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.43 109.583 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.71 52.44 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 74.12 109.963 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.48 ' O ' ' N ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -175.56 166.96 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 63.31 111.036 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -52.56 139.75 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.13 110.41 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 40.0 p90 -68.39 -42.47 79.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.41 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' N ' ' CG ' ' A' ' 20' ' ' PHE . 9.4 tp10 -78.15 9.93 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 74.42 110.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 19' ' ' THR . 0.1 OUTLIER -113.15 6.86 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 72.33 110.252 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.28 167.61 10.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 73.54 108.244 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 27' ' ' SER . 18.2 Cg_endo -75.07 -72.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.572 1.827 . . . . 75.15 110.963 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.27 -26.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.55 109.288 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.3 m -68.92 -44.59 72.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 55.43 108.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -80.95 -17.67 49.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.31 110.001 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.08 -25.28 62.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 75.42 109.308 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -58.23 -17.52 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 73.42 109.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER 87.15 60.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 72.24 110.35 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -103.58 -3.49 25.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 72.34 111.008 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -102.87 166.69 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 71.55 110.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.574 ' N ' HD21 ' A' ' 33' ' ' ASN . 0.0 OUTLIER 177.52 47.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.34 109.288 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.9 -37.09 52.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 75.23 111.058 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' TYR . 8.4 t80 -114.27 9.94 17.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 75.1 111.024 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' PHE . 10.9 t80 35.38 47.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 72.43 110.997 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -118.56 19.99 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 73.24 109.317 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER 71.08 1.34 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 72.33 109.272 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -159.24 178.56 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 75.23 109.308 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -134.45 -46.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 75.31 111.068 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -168.54 157.54 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.41 109.323 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.6 OUTLIER 168.18 163.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 75.22 110.333 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -161.09 25.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.21 110.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CD2' HG13 ' A' ' 57' ' ' VAL . 8.1 t90 -136.6 105.26 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.4 108.037 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -46.37 173.88 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 74.3 110.993 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.631 ' CB ' ' HA ' ' A' ' 56' ' ' ASP . 18.4 Cg_endo -74.93 146.59 33.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 73.45 111.055 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.672 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER 169.47 -172.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 72.24 110.246 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.672 ' C ' ' O ' ' A' ' 47' ' ' GLU . 4.7 mt-10 -7.33 86.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 61.55 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -64.1 -176.71 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.14 109.321 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.6 pp -66.04 74.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 74.14 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.5 m 61.91 16.12 7.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.12 110.405 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' GLU . 10.5 t0 -112.42 -7.37 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 74.21 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.0 30.24 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.47 1.106 . . . . 75.31 110.998 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 3.0 tt0 -70.64 -10.59 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 70.43 110.272 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 9.3 t0 80.11 72.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 74.04 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.631 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER 175.39 85.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 74.22 109.315 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 57' ' ' VAL . 3.1 p -109.49 53.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 72.12 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 37.3 p90 -45.2 109.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 65.32 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -60.63 127.0 86.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 72.41 109.32 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.5 3.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 55.14 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.42 146.48 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.51 109.312 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 39.06 57.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.42 109.305 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 171.58 84.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 75.22 109.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -145.11 -154.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 74.31 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.499 ' C ' ' CG1' ' A' ' 66' ' ' VAL . 1.2 mm-40 -89.78 36.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 74.32 110.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' CG1' ' C ' ' A' ' 65' ' ' GLU . 0.4 OUTLIER 166.25 -30.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 73.3 109.315 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.524 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 55.5 t -85.82 48.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 73.23 109.262 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 68' ' ' PHE . 35.6 t80 -120.93 34.17 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.24 110.981 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 171.11 -32.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.1 110.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 71' ' ' GLN . 2.1 m -71.48 -94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 75.12 110.411 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' N ' ' CG2' ' A' ' 70' ' ' THR . 1.5 tm0? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 72.14 110.337 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.004 -0.838 . . . . 64.33 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.19 66.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 73.23 109.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 4' ' ' ALA . 0.8 OUTLIER -95.31 -64.99 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 72.22 110.401 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.519 ' N ' HG22 ' A' ' 3' ' ' THR . . . -133.03 41.23 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 74.11 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.623 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 5.9 mtt -106.02 159.86 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.34 110.977 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 5' ' ' MET . . . 167.9 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.44 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.836 ' OG1' HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER -39.4 -84.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 55.41 110.398 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.836 HG22 ' OG1' ' A' ' 7' ' ' THR . 0.3 OUTLIER -141.89 -69.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 72.03 110.378 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.423 ' H ' HG23 ' A' ' 8' ' ' THR . 0.8 OUTLIER -68.64 137.03 53.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.42 110.998 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.45 20.8 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 75.31 110.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 2.1 mt-30 -127.44 8.36 6.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 73.32 110.301 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.872 ' O ' HD13 ' A' ' 13' ' ' ILE . 2.9 mm-40 -55.23 -17.41 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 75.32 110.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 12' ' ' GLU . 4.0 mm -143.06 116.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 73.32 109.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -60.38 167.13 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 53.5 108.32 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.0 -3.21 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 73.52 109.346 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -87.69 31.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.43 109.583 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.71 52.44 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 52.3 109.963 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.578 ' C ' HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -175.56 166.96 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 63.31 111.036 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.49 HG22 ' N ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -52.56 139.75 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.13 110.41 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 40.0 p90 -68.39 -42.47 79.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 71.13 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' N ' ' CG ' ' A' ' 20' ' ' PHE . 9.4 tp10 -78.15 9.93 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 74.23 110.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.49 ' N ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -113.15 6.86 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 64.41 110.252 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.28 167.61 10.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 73.54 108.244 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 27' ' ' SER . 18.2 Cg_endo -75.07 -72.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.572 1.827 . . . . 73.41 110.963 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -47.27 -26.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.55 109.288 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.3 m -68.92 -44.59 72.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 43.43 108.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -80.95 -17.67 49.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.31 110.001 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 25' ' ' LYS . . . -71.08 -25.28 62.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 70.53 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -58.23 -17.52 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 65.43 109.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 87.15 60.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 60.22 110.35 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -103.58 -3.49 25.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 64.24 111.008 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -102.87 166.69 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 64.44 110.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 177.52 47.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.34 109.288 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.9 -37.09 52.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 75.23 111.058 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.671 ' O ' HD23 ' A' ' 37' ' ' LEU . 8.4 t80 -114.27 9.94 17.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 71.33 111.024 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' PHE . 10.9 t80 35.38 47.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 72.43 110.997 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -118.56 19.99 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 62.55 109.317 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.875 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER 71.08 1.34 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 71.04 109.272 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -159.24 178.56 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 75.23 109.308 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -134.45 -46.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 74.21 111.068 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -168.54 157.54 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.41 109.323 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.6 OUTLIER 168.18 163.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 75.22 110.333 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -161.09 25.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.21 110.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 8.1 t90 -136.6 105.26 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.25 108.037 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -46.37 173.88 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 72.25 110.993 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.616 ' CB ' ' HA ' ' A' ' 56' ' ' ASP . 18.4 Cg_endo -74.93 146.59 33.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 73.45 111.055 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.788 ' HG3' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER 169.47 -172.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 70.24 110.246 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.672 ' C ' ' O ' ' A' ' 47' ' ' GLU . 4.7 mt-10 -7.33 86.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 61.55 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' HG ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -64.1 -176.71 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.14 109.321 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.914 ' O ' HD12 ' A' ' 50' ' ' LEU . 3.6 pp -66.04 74.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 74.14 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.5 m 61.91 16.12 7.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 71.04 110.405 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.629 ' HB3' HD22 ' A' ' 49' ' ' LEU . 10.5 t0 -112.42 -7.37 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 74.21 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.0 30.24 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.47 1.106 . . . . 75.31 110.998 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' HB3' HD13 ' A' ' 49' ' ' LEU . 3.0 tt0 -70.64 -10.59 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 65.43 110.272 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 9.3 t0 80.11 72.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 72.55 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.616 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER 175.39 85.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 74.22 109.315 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.788 HG12 ' HG3' ' A' ' 47' ' ' GLU . 3.1 p -109.49 53.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 72.12 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 37.3 p90 -45.2 109.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 65.32 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.469 ' HB3' ' CB ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -60.63 127.0 86.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 72.41 109.32 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.5 3.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 55.14 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.42 146.48 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.51 109.312 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER 39.06 57.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.42 109.305 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 171.58 84.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 75.22 109.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -145.11 -154.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 74.31 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.723 ' C ' HG12 ' A' ' 66' ' ' VAL . 1.2 mm-40 -89.78 36.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 74.32 110.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.723 HG12 ' C ' ' A' ' 65' ' ' GLU . 0.4 OUTLIER 166.25 -30.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 71.04 109.315 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.778 ' O ' HG12 ' A' ' 67' ' ' VAL . 55.5 t -85.82 48.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 63.1 109.262 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 68' ' ' PHE . 35.6 t80 -120.93 34.17 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.24 110.981 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 171.11 -32.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 71.43 110.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.616 HG22 ' N ' ' A' ' 71' ' ' GLN . 2.1 m -71.48 -94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 65.13 110.411 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.616 ' N ' HG22 ' A' ' 70' ' ' THR . 1.5 tm0? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 72.14 110.337 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.004 -0.838 . . . . 64.329999999999998 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 56.19 66.7 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 73.230000000000004 109.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 4' ' ' ALA . 0.8 OUTLIER -95.31 -64.99 1.01 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 72.219999999999999 110.401 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.519 ' N ' HG22 ' A' ' 3' ' ' THR . . . -133.03 41.23 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 74.109999999999999 109.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.623 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 5.9 mtt -106.02 159.86 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 110.977 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 5' ' ' MET . . . 167.9 -33.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 74.439999999999998 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.836 ' OG1' HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER -39.4 -84.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 55.409999999999997 110.398 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.836 HG22 ' OG1' ' A' ' 7' ' ' THR . 0.3 OUTLIER -141.89 -69.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 72.030000000000001 110.378 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.423 ' H ' HG23 ' A' ' 8' ' ' THR . 0.8 OUTLIER -68.64 137.03 53.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.420000000000002 110.998 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.45 20.8 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 75.310000000000002 110.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.492 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 2.1 mt-30 -127.44 8.36 6.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 73.319999999999993 110.301 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.872 ' O ' HD13 ' A' ' 13' ' ' ILE . 2.9 mm-40 -55.23 -17.41 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 75.319999999999993 110.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.872 HD13 ' O ' ' A' ' 12' ' ' GLU . 4.0 mm -143.06 116.2 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 73.319999999999993 109.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -60.38 167.13 2.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 53.5 108.32 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.0 -3.21 12.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 73.519999999999996 109.346 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -87.69 31.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.583 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.71 52.44 6.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 52.299999999999997 109.963 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.578 ' C ' HG23 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -175.56 166.96 3.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 63.310000000000002 111.036 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.49 HG22 ' N ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -52.56 139.75 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 75.129999999999995 110.41 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' O ' ' CB ' ' A' ' 26' ' ' CYS . 40.0 p90 -68.39 -42.47 79.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 71.129999999999995 111.015 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' N ' ' CG ' ' A' ' 20' ' ' PHE . 9.4 tp10 -78.15 9.93 3.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 74.230000000000004 110.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.49 ' N ' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -113.15 6.86 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 64.409999999999997 110.252 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.446 ' SG ' ' O ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -101.28 167.61 10.42 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 73.540000000000006 108.244 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 27' ' ' SER . 18.2 Cg_endo -75.07 -72.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.572 1.827 . . . . 73.409999999999997 110.963 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -47.27 -26.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 74.549999999999997 109.288 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 20' ' ' PHE . 1.3 m -68.92 -44.59 72.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 43.43 108.284 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -80.95 -17.67 49.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.310000000000002 110.001 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 25' ' ' LYS . . . -71.08 -25.28 62.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 70.530000000000001 109.308 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -58.23 -17.52 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 65.430000000000007 109.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER 87.15 60.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 60.219999999999999 110.35 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -103.58 -3.49 25.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 64.239999999999995 111.008 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -102.87 166.69 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 64.439999999999998 110.33 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.587 ' N ' HD22 ' A' ' 33' ' ' ASN . 0.0 OUTLIER 177.52 47.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 73.340000000000003 109.288 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.9 -37.09 52.29 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 75.230000000000004 111.058 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.671 ' O ' HD23 ' A' ' 37' ' ' LEU . 8.4 t80 -114.27 9.94 17.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 71.329999999999998 111.024 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' PHE . 10.9 t80 35.38 47.56 0.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 72.430000000000007 110.997 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 35' ' ' PHE . 0.7 OUTLIER -118.56 19.99 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 62.549999999999997 109.317 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER 71.08 1.34 3.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 71.040000000000006 109.272 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' CE ' ' HB3' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -159.24 178.56 9.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 109.308 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' N ' ' HG2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -134.45 -46.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 111.068 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -168.54 157.54 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.409999999999997 109.323 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.438 ' N ' ' OD1' ' A' ' 61' ' ' ASP . 0.6 OUTLIER 168.18 163.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 75.219999999999999 110.333 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER -161.09 25.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.209999999999994 110.286 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 59' ' ' ASP . 8.1 t90 -136.6 105.26 5.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 73.25 108.037 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -46.37 173.88 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 72.25 110.993 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.616 ' CB ' ' HA ' ' A' ' 56' ' ' ASP . 18.4 Cg_endo -74.93 146.59 33.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.467 1.772 . . . . 73.450000000000003 111.055 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.788 ' HG3' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER 169.47 -172.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 70.239999999999995 110.246 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.672 ' C ' ' O ' ' A' ' 47' ' ' GLU . 4.7 mt-10 -7.33 86.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 61.549999999999997 110.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' HG ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -64.1 -176.71 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 73.140000000000001 109.321 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 50' ' ' LEU . 3.6 pp -66.04 74.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 74.140000000000001 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.5 m 61.91 16.12 7.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 71.040000000000006 110.405 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.629 ' HB3' HD22 ' A' ' 49' ' ' LEU . 10.5 t0 -112.42 -7.37 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.169 . . . . 74.209999999999994 109.299 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 38.0 30.24 0.07 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.47 1.106 . . . . 75.310000000000002 110.998 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.539 ' HB3' HD13 ' A' ' 49' ' ' LEU . 3.0 tt0 -70.64 -10.59 59.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 65.430000000000007 110.272 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 54' ' ' GLU . 9.3 t0 80.11 72.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 72.549999999999997 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.616 ' HA ' ' CB ' ' A' ' 46' ' ' PRO . 0.3 OUTLIER 175.39 85.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 74.219999999999999 109.315 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.788 HG12 ' HG3' ' A' ' 47' ' ' GLU . 3.1 p -109.49 53.12 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 72.120000000000005 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 37.3 p90 -45.2 109.58 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 65.319999999999993 111.009 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.469 ' HB3' ' CB ' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -60.63 127.0 86.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 72.409999999999997 109.32 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.5 3.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 55.140000000000001 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.454 ' OD2' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -75.42 146.48 40.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 74.510000000000005 109.312 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.641 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER 39.06 57.49 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.305 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 171.58 84.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 75.219999999999999 109.287 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -145.11 -154.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 74.310000000000002 110.982 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.723 ' C ' HG12 ' A' ' 66' ' ' VAL . 1.2 mm-40 -89.78 36.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 74.319999999999993 110.319 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.723 HG12 ' C ' ' A' ' 65' ' ' GLU . 0.4 OUTLIER 166.25 -30.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 71.040000000000006 109.315 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.778 ' O ' HG12 ' A' ' 67' ' ' VAL . 55.5 t -85.82 48.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 63.100000000000001 109.262 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' O ' ' CG ' ' A' ' 68' ' ' PHE . 35.6 t80 -120.93 34.17 5.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.239999999999995 110.981 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 171.11 -32.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 71.430000000000007 110.271 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.616 HG22 ' N ' ' A' ' 71' ' ' GLN . 2.1 m -71.48 -94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 65.129999999999995 110.411 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.616 ' N ' HG22 ' A' ' 70' ' ' THR . 1.5 tm0? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 72.140000000000001 110.337 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_