data_1epg_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 1epg _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' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 2' ' ' SER . 11.7 m-80 . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.847 0.356 . . . . 4.2300000000000004 110.124 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 1' ' ' ASN . 0.3 OUTLIER 71.42 -8.77 0.99 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.368 -0.933 . . . . 2.0499999999999998 110.893 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 1' ' ' ASN . 0.9 OUTLIER 41.98 95.42 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.402 0 C-N-CA 119.814 -0.755 . . . . 2.4700000000000002 111.252 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -64.45 108.6 1.04 Allowed 'Trans proline' 0 C--N 1.321 -0.891 0 C-N-CA 121.011 1.141 . . . . 1.55 110.817 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.49 -156.57 23.15 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.587 -1.405 . . . . 0.88 109.587 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p -161.05 150.27 13.69 Favored Pre-proline 0 C--N 1.305 -1.357 0 C-N-CA 119.127 -1.029 . . . . 1.1100000000000001 110.845 179.958 39.473 -100.51 -91.896 104.079 2.019 103.682 153.437 83.614 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' CD ' ' CE1' ' A' ' 29' ' ' TYR . 38.4 Cg_exo -37.81 123.07 0.54 Allowed 'Trans proline' 0 C--N 1.316 -1.148 0 C-N-CA 122.397 2.065 . . . . 0.87 111.389 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.501 ' C ' ' N ' ' A' ' 10' ' ' TYR . 11.8 m -47.57 -25.74 1.23 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.217 -0.993 . . . . 2.6499999999999999 111.494 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.04 -19.33 0.11 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 118.658 -1.217 . . . . 2.4199999999999999 108.953 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 12' ' ' GLY . 28.1 m-85 -84.78 -76.55 0.31 Allowed 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.56 -1.2 . . . . 1.21 110.397 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' TYR . 4.5 t0 30.29 29.97 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.821 -1.081 . . . . 1.95 113.379 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 165.42 47.74 0.02 OUTLIER Glycine 0 N--CA 1.495 2.628 0 C-N-CA 118.993 -1.575 . . . . 1.6299999999999999 111.748 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CE2' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -127.43 -41.67 1.71 Allowed 'General case' 0 C--O 1.202 -1.422 0 C-N-CA 120.144 -0.622 . . . . 1.98 109.658 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -69.59 123.36 21.12 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.207 -1.397 . . . . 0.97999999999999998 110.988 -179.973 -111.961 34.307 -143.585 104.06 2.016 104.033 -75.556 -95.971 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' CD1' ' HE ' ' A' ' 41' ' ' ARG . 2.1 mp -97.91 150.17 21.61 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 114.833 -1.076 . . . . 2.0800000000000001 113.516 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.2 m-20 34.93 101.92 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.238 -1.346 . . . . 0.81000000000000005 114.012 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.98 48.32 1.97 Allowed Glycine 0 N--CA 1.494 2.551 0 C-N-CA 120.189 -1.005 . . . . 1.3400000000000001 111.26 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -94.86 109.55 3.86 Favored Glycine 0 N--CA 1.487 2.097 0 C-N-CA 119.23 -1.462 . . . . 1.1100000000000001 110.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.5 t -78.75 118.69 26.49 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.206 -0.998 . . . . 1.53 110.13 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.501 ' O ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p -84.78 115.16 22.56 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 119.251 -0.98 . . . . 0.90000000000000002 111.294 -179.942 83.614 153.437 -91.896 103.682 2.019 104.079 -100.51 39.473 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mtp -98.64 156.02 17.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.599 -0.841 . . . . 2.29 110.93 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 13.9 t-160 -144.9 95.49 2.7 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 114.919 -1.037 . . . . 0.70999999999999996 111.043 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.625 ' H ' ' CD1' ' A' ' 23' ' ' ILE . 0.1 OUTLIER -76.56 107.09 7.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 118.991 -1.084 . . . . 2.3700000000000001 109.609 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.21 -35.82 28.13 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.334 -0.946 . . . . 1.8799999999999999 111.081 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.128 -1.029 . . . . 1.8799999999999999 110.249 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 28' ' ' SER . 1.7 mp -79.09 2.41 20.83 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.591 -0.844 . . . . 2.54 111.114 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.2 OUTLIER 50.56 17.76 0.4 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.114 -1.034 . . . . 2.3599999999999999 110.101 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.547 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -75.46 -167.34 0.65 Allowed 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.542 -0.863 . . . . 1.78 110.88 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 28' ' ' SER . 70.7 m-85 -150.44 150.6 31.55 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 119.028 -1.069 . . . . 1.04 111.817 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 t -166.17 142.7 5.04 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 118.61 -1.236 . . . . 1.51 111.588 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.608 ' SG ' ' CE2' ' A' ' 13' ' ' TYR . 1.3 m -99.51 115.02 28.37 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 114.535 -1.211 . . . . 1.45 111.207 179.948 -95.971 -75.556 -143.585 104.033 2.016 104.06 34.307 -111.961 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.97 102.01 14.08 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.611 -0.835 . . . . 2.48 110.57 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.419 ' C ' ' CG2' ' A' ' 34' ' ' VAL . 3.1 m -64.11 -146.93 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.334 -0.946 . . . . 0.83999999999999997 110.438 -179.945 -36.379 -58.389 -80.779 102.095 2.016 103.271 -65.818 -56.461 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.433 ' H ' ' HB2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -162.21 -163.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 118.11 -1.436 . . . . 1.0800000000000001 112.447 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.562 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 1.1 tt -68.04 54.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 113.729 -1.578 . . . . 1.1899999999999999 113.618 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 148.65 24.03 0.07 OUTLIER Glycine 0 N--CA 1.497 2.727 0 N-CA-C 108.65 -1.78 . . . . 0.60999999999999999 108.65 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 49' ' ' TRP . 65.9 m-85 -146.23 118.98 8.62 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-N 113.734 -1.233 . . . . 1.52 109.356 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -161.2 -160.53 0.74 Allowed 'General case' 0 N--CA 1.5 2.046 0 C-N-CA 119.903 -0.719 . . . . 2.0699999999999998 111.938 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 40' ' ' ASP . . . 96.78 -150.92 19.72 Favored Glycine 0 N--CA 1.502 3.042 0 N-CA-C 109.418 -1.473 . . . . 1.29 109.418 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' A' ' 39' ' ' GLY . 4.1 m-20 -46.5 -93.42 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 107.435 -1.32 . . . . 3.0 107.435 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 9.7 mtm-85 -77.25 -63.16 1.43 Allowed 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.58 -2.378 . . . . 2.27 104.58 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 61.7 m -171.93 32.61 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.182 -1.826 . . . . 0.68999999999999995 107.692 179.815 -56.461 -65.818 -80.779 103.271 2.016 102.095 -58.389 -36.379 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.449 ' HA ' ' ND2' ' A' ' 16' ' ' ASN . 1.5 pt20 -71.03 12.2 0.32 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.885 -1.052 . . . . 2.1899999999999999 112.793 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' SER . 16.9 m -103.57 79.1 1.65 Allowed 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 119.328 -0.949 . . . . 1.55 113.223 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -93.09 80.85 4.52 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.031 -1.47 . . . . 3.52 107.031 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -96.06 179.36 5.1 Favored 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 114.69 1.367 . . . . 2.3500000000000001 114.69 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' HA ' ' CH2' ' A' ' 50' ' ' TRP . 1.6 mt -62.54 73.03 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 CA-C-N 114.801 -1.091 . . . . 3.2599999999999998 110.846 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -147.2 -93.67 0.09 Allowed 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.737 -1.185 . . . . 3.3100000000000001 113.708 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.769 ' CG ' ' N ' ' A' ' 50' ' ' TRP . 5.4 t-105 -32.63 -88.09 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 115.309 1.596 . . . . 1.5600000000000001 115.309 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.769 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 10.6 p-90 -44.73 -18.25 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 113.007 -1.906 . . . . 2.6099999999999999 114.225 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 1.8 mm-40 47.81 -90.45 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.805 -1.158 . . . . 4.2800000000000002 110.778 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 50' ' ' TRP . 0.0 OUTLIER 172.61 127.18 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 119.911 -0.716 . . . . 8.1999999999999993 110.394 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.47 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 116.435 -1.745 . . . . 9.1999999999999993 109.697 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 2' ' ' SER . 11.7 m-80 . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.847 0.356 . . . . 3.7 110.124 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 1' ' ' ASN . 0.3 OUTLIER 71.42 -8.77 0.99 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.368 -0.933 . . . . 1.61 110.893 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' SER . 0.9 OUTLIER 41.98 95.42 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.402 0 C-N-CA 119.814 -0.755 . . . . 2.12 111.252 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -64.45 108.6 1.04 Allowed 'Trans proline' 0 C--N 1.321 -0.891 0 C-N-CA 121.011 1.141 . . . . 1.32 110.817 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.49 -156.57 23.15 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.587 -1.405 . . . . 0.74 109.587 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p -161.05 150.27 13.69 Favored Pre-proline 0 C--N 1.305 -1.357 0 C-N-CA 119.127 -1.029 . . . . 1.11 110.845 179.958 39.473 -100.51 -91.896 104.079 2.019 103.682 153.437 83.614 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' CD ' ' CE1' ' A' ' 29' ' ' TYR . 38.4 Cg_exo -37.81 123.07 0.54 Allowed 'Trans proline' 0 C--N 1.316 -1.148 0 C-N-CA 122.397 2.065 . . . . 0.75 111.389 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.501 ' C ' ' N ' ' A' ' 10' ' ' TYR . 11.8 m -47.57 -25.74 1.23 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.217 -0.993 . . . . 2.08 111.494 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.04 -19.33 0.11 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 118.658 -1.217 . . . . 1.93 108.953 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 12' ' ' GLY . 28.1 m-85 -84.78 -76.55 0.31 Allowed 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.56 -1.2 . . . . 1.11 110.397 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' TYR . 4.5 t0 30.29 29.97 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.821 -1.081 . . . . 1.95 113.379 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 165.42 47.74 0.02 OUTLIER Glycine 0 N--CA 1.495 2.628 0 C-N-CA 118.993 -1.575 . . . . 1.63 111.748 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CE2' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -127.43 -41.67 1.71 Allowed 'General case' 0 C--O 1.202 -1.422 0 C-N-CA 120.144 -0.622 . . . . 1.47 109.658 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -69.59 123.36 21.12 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.207 -1.397 . . . . 0.98 110.988 -179.973 -111.961 34.307 -143.585 104.06 2.016 104.033 -75.556 -95.971 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.946 HD13 ' HE ' ' A' ' 41' ' ' ARG . 2.1 mp -97.91 150.17 21.61 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 114.833 -1.076 . . . . 1.52 113.516 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.2 m-20 34.93 101.92 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.238 -1.346 . . . . 0.81 114.012 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.98 48.32 1.97 Allowed Glycine 0 N--CA 1.494 2.551 0 C-N-CA 120.189 -1.005 . . . . 1.34 111.26 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -94.86 109.55 3.86 Favored Glycine 0 N--CA 1.487 2.097 0 C-N-CA 119.23 -1.462 . . . . 0.85 110.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' H ' HG23 ' A' ' 19' ' ' VAL . 1.5 t -78.75 118.69 26.49 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.206 -0.998 . . . . 1.27 110.13 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 20' ' ' CYS . 2.7 p -84.78 115.16 22.56 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 119.251 -0.98 . . . . 0.8 111.294 -179.942 83.614 153.437 -91.896 103.682 2.019 104.079 -100.51 39.473 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mtp -98.64 156.02 17.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.599 -0.841 . . . . 2.02 110.93 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 13.9 t-160 -144.9 95.49 2.7 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 114.919 -1.037 . . . . 0.67 111.043 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.896 ' H ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -76.56 107.09 7.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 118.991 -1.084 . . . . 1.67 109.609 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.21 -35.82 28.13 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.334 -0.946 . . . . 1.88 111.081 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.128 -1.029 . . . . 1.88 110.249 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 28' ' ' SER . 1.7 mp -79.09 2.41 20.83 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.591 -0.844 . . . . 1.98 111.114 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.2 OUTLIER 50.56 17.76 0.4 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.114 -1.034 . . . . 2.36 110.101 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.547 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -75.46 -167.34 0.65 Allowed 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.542 -0.863 . . . . 1.38 110.88 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 28' ' ' SER . 70.7 m-85 -150.44 150.6 31.55 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 119.028 -1.069 . . . . 0.79 111.817 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 t -166.17 142.7 5.04 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 118.61 -1.236 . . . . 0.98 111.588 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.608 ' SG ' ' CE2' ' A' ' 13' ' ' TYR . 1.3 m -99.51 115.02 28.37 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 114.535 -1.211 . . . . 1.45 111.207 179.948 -95.971 -75.556 -143.585 104.033 2.016 104.06 34.307 -111.961 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.97 102.01 14.08 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.611 -0.835 . . . . 2.39 110.57 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.1 m -64.11 -146.93 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.334 -0.946 . . . . 0.84 110.438 -179.945 -36.379 -58.389 -80.779 102.095 2.016 103.271 -65.818 -56.461 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.518 ' H ' ' HB2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -162.21 -163.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 118.11 -1.436 . . . . 1.0 112.447 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.579 HG23 ' CE3' ' A' ' 49' ' ' TRP . 1.1 tt -68.04 54.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 113.729 -1.578 . . . . 1.0 113.618 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.451 ' HA3' ' H ' ' A' ' 49' ' ' TRP . . . 148.65 24.03 0.07 OUTLIER Glycine 0 N--CA 1.497 2.727 0 N-CA-C 108.65 -1.78 . . . . 0.61 108.65 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 49' ' ' TRP . 65.9 m-85 -146.23 118.98 8.62 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-N 113.734 -1.233 . . . . 0.78 109.356 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -161.2 -160.53 0.74 Allowed 'General case' 0 N--CA 1.5 2.046 0 C-N-CA 119.903 -0.719 . . . . 1.62 111.938 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 40' ' ' ASP . . . 96.78 -150.92 19.72 Favored Glycine 0 N--CA 1.502 3.042 0 N-CA-C 109.418 -1.473 . . . . 1.21 109.418 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' A' ' 39' ' ' GLY . 4.1 m-20 -46.5 -93.42 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 107.435 -1.32 . . . . 3.0 107.435 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.946 ' HE ' HD13 ' A' ' 15' ' ' LEU . 9.7 mtm-85 -77.25 -63.16 1.43 Allowed 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.58 -2.378 . . . . 2.02 104.58 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 61.7 m -171.93 32.61 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.182 -1.826 . . . . 0.69 107.692 179.815 -56.461 -65.818 -80.779 103.271 2.016 102.095 -58.389 -36.379 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.487 ' HA ' ' ND2' ' A' ' 16' ' ' ASN . 9.3 pt20 -71.03 12.2 0.32 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.885 -1.052 . . . . 1.88 112.793 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' SER . 16.9 m -103.57 79.1 1.65 Allowed 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 119.328 -0.949 . . . . 1.26 113.223 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -93.09 80.85 4.52 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.031 -1.47 . . . . 2.88 107.031 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -96.06 179.36 5.1 Favored 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 114.69 1.367 . . . . 2.35 114.69 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' ' CH2' ' A' ' 50' ' ' TRP . 1.6 mt -62.54 73.03 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 CA-C-N 114.801 -1.091 . . . . 2.72 110.846 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -147.2 -93.67 0.09 Allowed 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.737 -1.185 . . . . 2.95 113.708 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.769 ' CG ' ' N ' ' A' ' 50' ' ' TRP . 5.4 t-105 -32.63 -88.09 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 115.309 1.596 . . . . 1.27 115.309 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.769 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 10.6 p-90 -44.73 -18.25 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 113.007 -1.906 . . . . 2.32 114.225 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 1.8 mm-40 47.81 -90.45 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.805 -1.158 . . . . 4.28 110.778 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.942 HD22 ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER 172.61 127.18 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 119.911 -0.716 . . . . 7.37 110.394 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.942 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 116.435 -1.745 . . . . 8.91 109.697 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.468 ' O ' ' CB ' ' A' ' 2' ' ' SER . 11.7 m-80 . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.847 0.356 . . . . 3.7 110.124 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 1' ' ' ASN . 0.3 OUTLIER 71.42 -8.77 0.99 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 119.368 -0.933 . . . . 1.61 110.893 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' SER . 0.9 OUTLIER 41.98 95.42 0.04 OUTLIER Pre-proline 0 N--CA 1.487 1.402 0 C-N-CA 119.814 -0.755 . . . . 2.12 111.252 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -64.45 108.6 1.04 Allowed 'Trans proline' 0 C--N 1.321 -0.891 0 C-N-CA 121.011 1.141 . . . . 1.32 110.817 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 136.49 -156.57 23.15 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.587 -1.405 . . . . 0.74 109.587 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.6 p -161.05 150.27 13.69 Favored Pre-proline 0 C--N 1.305 -1.357 0 C-N-CA 119.127 -1.029 . . . . 1.11 110.845 179.958 39.473 -100.51 -91.896 104.079 2.019 103.682 153.437 83.614 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' CD ' ' CE1' ' A' ' 29' ' ' TYR . 38.4 Cg_exo -37.81 123.07 0.54 Allowed 'Trans proline' 0 C--N 1.316 -1.148 0 C-N-CA 122.397 2.065 . . . . 0.75 111.389 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.501 ' C ' ' N ' ' A' ' 10' ' ' TYR . 11.8 m -47.57 -25.74 1.23 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 119.217 -0.993 . . . . 2.08 111.494 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.04 -19.33 0.11 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 118.658 -1.217 . . . . 1.93 108.953 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 12' ' ' GLY . 28.1 m-85 -84.78 -76.55 0.31 Allowed 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 114.56 -1.2 . . . . 1.11 110.397 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' TYR . 4.5 t0 30.29 29.97 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 114.821 -1.081 . . . . 1.95 113.379 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 165.42 47.74 0.02 OUTLIER Glycine 0 N--CA 1.495 2.628 0 C-N-CA 118.993 -1.575 . . . . 1.63 111.748 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CE2' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -127.43 -41.67 1.71 Allowed 'General case' 0 C--O 1.202 -1.422 0 C-N-CA 120.144 -0.622 . . . . 1.47 109.658 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -69.59 123.36 21.12 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.207 -1.397 . . . . 0.98 110.988 -179.973 -111.961 34.307 -143.585 104.06 2.016 104.033 -75.556 -95.971 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.946 HD13 ' HE ' ' A' ' 41' ' ' ARG . 2.1 mp -97.91 150.17 21.61 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 114.833 -1.076 . . . . 1.52 113.516 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.2 m-20 34.93 101.92 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 114.238 -1.346 . . . . 0.81 114.012 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 37.98 48.32 1.97 Allowed Glycine 0 N--CA 1.494 2.551 0 C-N-CA 120.189 -1.005 . . . . 1.34 111.26 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -94.86 109.55 3.86 Favored Glycine 0 N--CA 1.487 2.097 0 C-N-CA 119.23 -1.462 . . . . 0.85 110.345 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' H ' HG23 ' A' ' 19' ' ' VAL . 1.5 t -78.75 118.69 26.49 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 C-N-CA 119.206 -0.998 . . . . 1.27 110.13 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.501 ' SG ' ' O ' ' A' ' 20' ' ' CYS . 2.7 p -84.78 115.16 22.56 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 119.251 -0.98 . . . . 0.8 111.294 -179.942 83.614 153.437 -91.896 103.682 2.019 104.079 -100.51 39.473 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 80.4 mtp -98.64 156.02 17.02 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 119.599 -0.841 . . . . 2.02 110.93 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.483 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 13.9 t-160 -144.9 95.49 2.7 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-N 114.919 -1.037 . . . . 0.67 111.043 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.896 ' H ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -76.56 107.09 7.18 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 C-N-CA 118.991 -1.084 . . . . 1.67 109.609 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -50.21 -35.82 28.13 Favored 'General case' 0 C--N 1.303 -1.455 0 C-N-CA 119.334 -0.946 . . . . 1.88 111.081 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.128 -1.029 . . . . 1.88 110.249 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' A' ' 28' ' ' SER . 1.7 mp -79.09 2.41 20.83 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.591 -0.844 . . . . 1.98 111.114 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.402 ' O ' ' CE2' ' A' ' 29' ' ' TYR . 0.2 OUTLIER 50.56 17.76 0.4 Allowed 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 119.114 -1.034 . . . . 2.36 110.101 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.547 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -75.46 -167.34 0.65 Allowed 'General case' 0 C--N 1.306 -1.294 0 C-N-CA 119.542 -0.863 . . . . 1.38 110.88 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.547 ' CD1' ' O ' ' A' ' 28' ' ' SER . 70.7 m-85 -150.44 150.6 31.55 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 119.028 -1.069 . . . . 0.79 111.817 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 t -166.17 142.7 5.04 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 118.61 -1.236 . . . . 0.98 111.588 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.608 ' SG ' ' CE2' ' A' ' 13' ' ' TYR . 1.3 m -99.51 115.02 28.37 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-N 114.535 -1.211 . . . . 1.45 111.207 179.948 -95.971 -75.556 -143.585 104.033 2.016 104.06 34.307 -111.961 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -93.97 102.01 14.08 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 119.611 -0.835 . . . . 2.39 110.57 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.1 m -64.11 -146.93 0.0 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.334 -0.946 . . . . 0.84 110.438 -179.945 -36.379 -58.389 -80.779 102.095 2.016 103.271 -65.818 -56.461 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.518 ' H ' ' HB2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -162.21 -163.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 C-N-CA 118.11 -1.436 . . . . 1.0 112.447 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.579 HG23 ' CE3' ' A' ' 49' ' ' TRP . 1.1 tt -68.04 54.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 CA-C-N 113.729 -1.578 . . . . 1.0 113.618 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.451 ' HA3' ' H ' ' A' ' 49' ' ' TRP . . . 148.65 24.03 0.07 OUTLIER Glycine 0 N--CA 1.497 2.727 0 N-CA-C 108.65 -1.78 . . . . 0.61 108.65 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.639 ' CZ ' ' CD1' ' A' ' 49' ' ' TRP . 65.9 m-85 -146.23 118.98 8.62 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-N 113.734 -1.233 . . . . 0.78 109.356 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 44' ' ' THR . 0.3 OUTLIER -161.2 -160.53 0.74 Allowed 'General case' 0 N--CA 1.5 2.046 0 C-N-CA 119.903 -0.719 . . . . 1.62 111.938 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 40' ' ' ASP . . . 96.78 -150.92 19.72 Favored Glycine 0 N--CA 1.502 3.042 0 N-CA-C 109.418 -1.473 . . . . 1.21 109.418 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.48 ' O ' ' O ' ' A' ' 39' ' ' GLY . 4.1 m-20 -46.5 -93.42 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 107.435 -1.32 . . . . 3.0 107.435 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.946 ' HE ' HD13 ' A' ' 15' ' ' LEU . 9.7 mtm-85 -77.25 -63.16 1.43 Allowed 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 104.58 -2.378 . . . . 2.02 104.58 179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 41' ' ' ARG . 61.7 m -171.93 32.61 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.182 -1.826 . . . . 0.69 107.692 179.815 -56.461 -65.818 -80.779 103.271 2.016 102.095 -58.389 -36.379 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.487 ' HA ' ' ND2' ' A' ' 16' ' ' ASN . 1.5 pt20 -71.03 12.2 0.32 Allowed 'General case' 0 C--N 1.298 -1.645 0 CA-C-N 114.885 -1.052 . . . . 1.88 112.793 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' SER . 16.9 m -103.57 79.1 1.65 Allowed 'General case' 0 C--N 1.311 -1.074 0 C-N-CA 119.328 -0.949 . . . . 1.26 113.223 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -93.09 80.85 4.52 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 107.031 -1.47 . . . . 2.88 107.031 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 48' ' ' ARG . 0.4 OUTLIER -96.06 179.36 5.1 Favored 'General case' 0 N--CA 1.505 2.28 0 N-CA-C 114.69 1.367 . . . . 2.35 114.69 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HA ' ' CH2' ' A' ' 50' ' ' TRP . 1.6 mt -62.54 73.03 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 CA-C-N 114.801 -1.091 . . . . 2.72 110.846 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -147.2 -93.67 0.09 Allowed 'General case' 0 C--N 1.313 -0.995 0 C-N-CA 118.737 -1.185 . . . . 2.95 113.708 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.769 ' CG ' ' N ' ' A' ' 50' ' ' TRP . 5.4 t-105 -32.63 -88.09 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 115.309 1.596 . . . . 1.27 115.309 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.769 ' N ' ' CG ' ' A' ' 49' ' ' TRP . 10.6 p-90 -44.73 -18.25 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.354 0 CA-C-N 113.007 -1.906 . . . . 2.32 114.225 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 1.8 mm-40 47.81 -90.45 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 118.805 -1.158 . . . . 4.28 110.778 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.942 HD22 ' N ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER 172.61 127.18 0.02 OUTLIER 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 119.911 -0.716 . . . . 7.37 110.394 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.942 ' N ' HD22 ' A' ' 52' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 116.435 -1.745 . . . . 8.91 109.697 -179.895 . . . . . . . . 2 2 . 1 stop_ save_