data_1l2m_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 1l2m _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 ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.23 151.29 20.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -126.53 147.29 49.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' CE1' HD13 ' A' ' 9' ' ' ILE . 13.4 t80 -76.84 102.37 6.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.485 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -132.69 118.33 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.589 HD13 ' CE1' ' A' ' 7' ' ' PHE . 24.7 mt -106.1 132.94 51.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -135.37 111.29 9.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.66 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -82.93 -34.41 26.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -114.61 146.67 40.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.2 m-85 -133.09 144.37 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.572 ' CE2' HD21 ' A' ' 61' ' ' LEU . 14.3 m-85 -120.27 122.6 41.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 16' ' ' LEU . 1.6 mm? -104.48 128.97 52.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.9 m -122.76 123.3 40.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.577 ' CD2' ' HB3' ' A' ' 89' ' ' PRO . 5.0 m-85 -112.67 101.45 52.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.01 137.92 22.33 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' PRO . 3.1 tttt 39.04 42.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.474 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -102.68 123.49 46.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.344 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.75 13.79 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 8.7 tp -71.05 137.1 48.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.457 ' OG1' ' OD1' ' A' ' 27' ' ' ASN . 8.1 p -87.42 161.95 17.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.8 pttp -70.57 -28.94 65.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.23 -47.68 73.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.457 ' OD1' ' OG1' ' A' ' 24' ' ' THR . 2.4 m120 -66.3 -44.05 84.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.15 -33.01 72.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 33' ' ' THR . 0.9 OUTLIER -69.42 -44.68 70.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.5 t -68.04 -44.63 75.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -66.34 -49.51 66.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.5 mm -62.8 -46.13 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 73.3 m -64.09 -31.96 73.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.631 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.9 OUTLIER -85.69 -13.02 49.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -71.65 118.48 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.611 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.9 mt-30 -78.46 162.21 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.491 ' OG1' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -147.92 158.44 42.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.491 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.02 -4.96 16.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.57 ' OG1' ' N ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -115.8 -108.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.57 ' N ' ' OG1' ' A' ' 39' ' ' THR . 1.1 t30 -171.53 137.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HG3' HG22 ' A' ' 37' ' ' THR . 7.8 mttp -89.16 129.03 35.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 HD22 ' CG ' ' A' ' 117' ' ' GLN . 1.0 OUTLIER -103.21 -84.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.546 ' CE2' HG21 ' A' ' 104' ' ' ILE . 41.0 t80 -102.94 153.84 19.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 99.5 mt -142.45 116.37 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 104' ' ' ILE . 10.1 tptt -114.59 125.19 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 HG21 ' CB ' ' A' ' 25' ' ' LYS . 72.5 mt -123.67 116.0 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.2 t -126.2 138.32 53.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -96.94 143.67 27.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 50' ' ' LEU . 20.6 tp10 -144.46 134.88 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' N ' HD21 ' A' ' 50' ' ' LEU . 4.1 mm? -98.13 135.03 40.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.451 ' CD2' ' CB ' ' A' ' 57' ' ' HIS . 36.8 m170 -82.82 154.72 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.627 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.16 -6.89 50.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -86.04 0.07 54.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.71 4.19 85.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 13.7 pt-20 -96.61 135.81 22.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.61 8.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.451 ' CB ' ' CD2' ' A' ' 51' ' ' HIS . 3.8 t-80 -110.69 155.1 22.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.561 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -134.06 133.94 41.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.424 ' CD2' ' HE1' ' A' ' 57' ' ' HIS . 0.0 OUTLIER -117.2 142.72 46.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 28.2 mt -142.46 142.75 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.572 HD21 ' CE2' ' A' ' 15' ' ' PHE . 1.4 tm? -138.78 111.21 7.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.429 ' N ' HD23 ' A' ' 61' ' ' LEU . 4.2 mt -118.7 149.03 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.97 118.26 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -90.98 156.51 17.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -34.08 74.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.2 160.6 19.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -58.62 111.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.599 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.9 t80 -89.21 137.66 32.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.17 109.03 21.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 14' ' ' TYR . 7.9 t -108.46 69.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.485 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 6.9 t -96.02 31.95 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -158.82 119.85 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.49 ' HG2' ' CE2' ' A' ' 7' ' ' PHE . 5.2 mt-30 -87.87 38.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -118.09 -16.15 9.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 16.1 t80 -76.76 -39.26 52.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CD2' HG12 ' A' ' 91' ' ' ILE . 23.5 m-85 -87.88 13.41 10.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -65.98 104.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 0.5 OUTLIER -105.02 138.15 41.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.561 HG13 ' CD2' ' A' ' 86' ' ' HIS . 3.3 m -123.96 164.09 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 9.0 t -85.7 119.22 71.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -4.65 15.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -111.26 -20.64 12.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 80' ' ' SER . 3.1 ttt180 -133.54 143.67 48.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.247 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.59 56.15 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.35 139.77 51.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.561 ' CD2' HG13 ' A' ' 79' ' ' VAL . 26.0 m170 -107.27 146.92 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.7 m-85 -126.54 134.43 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.47 ' CE1' ' OE1' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -110.41 100.57 45.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.551 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.577 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.97 160.36 40.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.03 119.03 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.494 HG12 ' CD2' ' A' ' 76' ' ' PHE . 10.8 mt -87.97 130.3 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.37 133.61 38.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.01 115.63 4.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.1 113.47 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 109.34 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -61.88 -143.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 97' ' ' SER . 9.0 t -96.11 143.19 27.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.4 m 156.81 142.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -80.13 -8.78 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -45.91 -25.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.58 HG22 ' CZ ' ' A' ' 116' ' ' PHE . 19.0 m -67.68 -42.44 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -64.58 -41.39 96.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -47.89 81.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -69.07 -34.07 74.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.546 HG21 ' CE2' ' A' ' 43' ' ' PHE . 56.2 mt -66.44 -39.79 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.4 -25.4 65.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -74.88 67.68 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.58 176.53 8.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 132.21 103.97 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 68.4 m-20 62.52 35.74 14.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -130.9 166.27 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.5 tt -104.66 142.87 33.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' OE1' ' NZ ' ' A' ' 45' ' ' LYS . 2.0 mt-10 -126.21 132.75 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.608 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 7.9 t90 -141.02 145.75 36.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 108.038 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.608 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.82 177.23 11.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.472 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.53 124.04 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.386 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.58 ' CZ ' HG22 ' A' ' 100' ' ' VAL . 14.3 t80 -79.91 150.34 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.5 OUTLIER -145.36 127.42 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.7 mt -87.34 129.59 38.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.37 128.06 34.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.01 -162.2 25.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.335 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.23 151.29 20.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -126.53 147.29 49.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 13.4 t80 -76.84 102.37 6.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.505 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -132.69 118.33 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' A' ' 7' ' ' PHE . 24.7 mt -106.1 132.94 51.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -135.37 111.29 9.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.66 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -82.93 -34.41 26.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.88 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.2 m-80 -114.61 146.67 40.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.2 m-85 -133.09 144.37 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.555 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 14.3 m-85 -120.27 122.6 41.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 62' ' ' ILE . 1.6 mm? -104.48 128.97 52.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' NE2' ' A' ' 57' ' ' HIS . 30.9 m -122.76 123.3 40.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.688 ' OH ' HD12 ' A' ' 60' ' ' ILE . 5.0 m-85 -112.67 101.45 52.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.01 137.92 22.33 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' PRO . 3.1 tttt 39.04 42.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -102.68 123.49 46.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.344 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.75 13.79 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 8.7 tp -71.05 137.1 48.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.703 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.1 p -87.42 161.95 17.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.8 pttp -70.57 -28.94 65.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.23 -47.68 73.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.703 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -66.3 -44.05 84.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.15 -33.01 72.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.581 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.9 OUTLIER -69.42 -44.68 70.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.5 t -68.04 -44.63 75.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' HD13 ' A' ' 35' ' ' LEU . 37.2 mt-30 -66.34 -49.51 66.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.5 mm -62.8 -46.13 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.581 ' OG1' HD22 ' A' ' 29' ' ' LEU . 73.3 m -64.09 -31.96 73.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -85.69 -13.02 49.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -71.65 118.48 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.611 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.9 mt-30 -78.46 162.21 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.544 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.92 158.44 42.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.49 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.02 -4.96 16.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -115.8 -108.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.58 ' H ' HG23 ' A' ' 39' ' ' THR . 14.2 t-20 -171.53 137.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -89.16 129.03 35.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -103.21 -84.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.507 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 41.0 t80 -102.94 153.84 19.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.635 HG12 HG23 ' A' ' 62' ' ' ILE . 99.5 mt -142.45 116.37 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 104' ' ' ILE . 10.1 tptt -114.59 125.19 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 72.5 mt -123.67 116.0 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.2 t -126.2 138.32 53.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -96.94 143.67 27.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 20.6 tp10 -144.46 134.88 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 56' ' ' PRO . 4.1 mm? -98.13 135.03 40.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.451 ' CD2' ' CB ' ' A' ' 57' ' ' HIS . 36.8 m170 -82.82 154.72 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.627 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.16 -6.89 50.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -86.04 0.07 54.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.71 4.19 85.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 13.7 pt-20 -96.61 135.81 22.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.838 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.97 123.61 8.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.614 ' NE2' HG23 ' A' ' 17' ' ' THR . 3.8 t-80 -110.69 155.1 22.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.561 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -134.06 133.94 41.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.76 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.2 142.72 46.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.688 HD12 ' OH ' ' A' ' 18' ' ' TYR . 28.2 mt -142.46 142.75 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.555 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.78 111.21 7.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.635 HG23 HG12 ' A' ' 44' ' ' ILE . 4.2 mt -118.7 149.03 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 1.3 pp0? -135.97 118.26 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -90.98 156.51 17.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -34.08 74.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.2 160.6 19.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -58.62 111.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.599 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.9 t80 -89.21 137.66 32.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.17 109.03 21.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.619 ' SG ' HG21 ' A' ' 91' ' ' ILE . 7.9 t -108.46 69.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.505 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 6.9 t -96.02 31.95 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -158.82 119.85 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.49 ' HG2' ' CE2' ' A' ' 7' ' ' PHE . 5.2 mt-30 -87.87 38.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 5.8 mtt180 -118.09 -16.15 9.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 16.1 t80 -76.76 -39.26 52.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.524 ' O ' HD12 ' A' ' 78' ' ' LEU . 23.5 m-85 -87.88 13.41 10.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.6 m-20 -65.98 104.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.629 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.02 138.15 41.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 m -123.96 164.09 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 9.0 t -85.7 119.22 71.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -4.65 15.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -111.26 -20.64 12.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 80' ' ' SER . 3.1 ttt180 -133.54 143.67 48.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.247 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.59 56.15 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.35 139.77 51.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -107.27 146.92 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.7 m-85 -126.54 134.43 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.47 ' CE1' ' OE1' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -110.41 100.57 45.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.551 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.97 160.36 40.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.03 119.03 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.619 HG21 ' SG ' ' A' ' 70' ' ' CYS . 10.8 mt -87.97 130.3 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.37 133.61 38.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.01 115.63 4.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.1 113.47 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -61.88 -143.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 97' ' ' SER . 9.0 t -96.11 143.19 27.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.4 m 156.81 142.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -80.13 -8.78 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -45.91 -25.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.52 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.0 m -67.68 -42.44 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.486 ' HG3' HD11 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -64.58 -41.39 96.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -47.89 81.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -69.07 -34.07 74.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.446 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 56.2 mt -66.44 -39.79 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.4 -25.4 65.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -74.88 67.68 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.58 176.53 8.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 132.21 103.97 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 68.4 m-20 62.52 35.74 14.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -130.9 166.27 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.5 tt -104.66 142.87 33.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.689 ' N ' HD23 ' A' ' 111' ' ' LEU . 2.0 mt-10 -126.21 132.75 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.608 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 7.9 t90 -141.02 145.75 36.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 108.038 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.608 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.82 177.23 11.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.472 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.53 124.04 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.386 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.52 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 14.3 t80 -79.91 150.34 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.5 OUTLIER -145.36 127.42 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.486 HD11 ' HG3' ' A' ' 101' ' ' LYS . 6.7 mt -87.34 129.59 38.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.37 128.06 34.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.01 -162.2 25.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.335 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.23 151.29 20.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -126.53 147.29 49.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 13.4 t80 -76.84 102.37 6.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.505 ' HA ' ' CB ' ' A' ' 71' ' ' THR . 0.0 OUTLIER -132.69 118.33 18.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' A' ' 7' ' ' PHE . 24.7 mt -106.1 132.94 51.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -135.37 111.29 9.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.3 163.66 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -82.93 -34.41 26.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.88 ' HB2' ' HB3' ' A' ' 94' ' ' ALA . 4.2 m-80 -114.61 146.67 40.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 70' ' ' CYS . 5.2 m-85 -133.09 144.37 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.555 ' CZ ' ' HG ' ' A' ' 61' ' ' LEU . 14.3 m-85 -120.27 122.6 41.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' CD2' HD12 ' A' ' 62' ' ' ILE . 1.6 mm? -104.48 128.97 52.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.614 HG23 ' NE2' ' A' ' 57' ' ' HIS . 30.9 m -122.76 123.3 40.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.38 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.688 ' OH ' HD12 ' A' ' 60' ' ' ILE . 5.0 m-85 -112.67 101.45 52.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 20' ' ' LYS . 18.2 Cg_endo -75.01 137.92 22.33 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 19' ' ' PRO . 3.1 tttt 39.04 42.95 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.476 ' CB ' ' HB3' ' A' ' 18' ' ' TYR . 6.4 t -102.68 123.49 46.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.344 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.75 13.79 8.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 78' ' ' LEU . 8.7 tp -71.05 137.1 48.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.703 ' HG1' ' CG ' ' A' ' 27' ' ' ASN . 8.1 p -87.42 161.95 17.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' LEU . 2.8 pttp -70.57 -28.94 65.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.23 -47.68 73.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.703 ' CG ' ' HG1' ' A' ' 24' ' ' THR . 2.4 m120 -66.3 -44.05 84.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.506 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . -69.15 -33.01 72.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.581 HD22 ' OG1' ' A' ' 33' ' ' THR . 0.9 OUTLIER -69.42 -44.68 70.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.465 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.5 t -68.04 -44.63 75.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' O ' HD13 ' A' ' 35' ' ' LEU . 37.2 mt-30 -66.34 -49.51 66.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG1' ' O ' ' A' ' 28' ' ' ALA . 6.5 mm -62.8 -46.13 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.581 ' OG1' HD22 ' A' ' 29' ' ' LEU . 73.3 m -64.09 -31.96 73.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.643 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -85.69 -13.02 49.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' HG ' ' CE1' ' A' ' 75' ' ' PHE . 0.1 OUTLIER -71.65 118.48 14.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.611 ' O ' ' CE1' ' A' ' 75' ' ' PHE . 2.9 mt-30 -78.46 162.21 26.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.544 ' OG1' HG22 ' A' ' 39' ' ' THR . 0.1 OUTLIER -147.92 158.44 42.24 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.49 ' HD2' ' OG1' ' A' ' 37' ' ' THR . 18.3 Cg_endo -75.02 -4.96 16.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -115.8 -108.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.58 ' H ' HG23 ' A' ' 39' ' ' THR . 1.1 t30 -171.53 137.67 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -89.16 129.03 35.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.128 . . . . 0.0 109.36 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -103.21 -84.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.507 ' CG ' ' HB2' ' A' ' 116' ' ' PHE . 41.0 t80 -102.94 153.84 19.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.635 HG12 HG23 ' A' ' 62' ' ' ILE . 99.5 mt -142.45 116.37 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' NZ ' ' O ' ' A' ' 104' ' ' ILE . 10.1 tptt -114.59 125.19 53.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.425 ' CD1' ' HB2' ' A' ' 29' ' ' LEU . 72.5 mt -123.67 116.0 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.2 t -126.2 138.32 53.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -96.94 143.67 27.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HB3' ' HD1' ' A' ' 57' ' ' HIS . 20.6 tp10 -144.46 134.88 24.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 56' ' ' PRO . 4.1 mm? -98.13 135.03 40.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.451 ' CD2' ' CB ' ' A' ' 57' ' ' HIS . 36.8 m170 -82.82 154.72 24.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.627 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -74.16 -6.89 50.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -86.04 0.07 54.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.71 4.19 85.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 51' ' ' HIS . 13.7 pt-20 -96.61 135.81 22.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.551 0.795 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.838 ' HA ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.97 123.61 8.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.614 ' NE2' HG23 ' A' ' 17' ' ' THR . 3.8 t-80 -110.69 155.1 22.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.561 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -134.06 133.94 41.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.76 ' N ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -117.2 142.72 46.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.688 HD12 ' OH ' ' A' ' 18' ' ' TYR . 28.2 mt -142.46 142.75 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.555 ' HG ' ' CZ ' ' A' ' 15' ' ' PHE . 1.4 tm? -138.78 111.21 7.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.635 HG23 HG12 ' A' ' 44' ' ' ILE . 4.2 mt -118.7 149.03 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.243 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.504 ' HG2' ' CD2' ' A' ' 116' ' ' PHE . 0.0 OUTLIER -135.97 118.26 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -90.98 156.51 17.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -34.08 74.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -125.2 160.6 19.79 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -58.62 111.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.599 ' OH ' ' CD2' ' A' ' 75' ' ' PHE . 3.9 t80 -89.21 137.66 32.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.17 109.03 21.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.619 ' SG ' HG21 ' A' ' 91' ' ' ILE . 7.9 t -108.46 69.48 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 108.295 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.505 ' CB ' ' HA ' ' A' ' 8' ' ' SER . 6.9 t -96.02 31.95 2.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -158.82 119.85 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.49 ' HG2' ' CE2' ' A' ' 7' ' ' PHE . 5.2 mt-30 -87.87 38.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HA ' ' CG ' ' A' ' 77' ' ' ASP . 5.8 mtt180 -118.09 -16.15 9.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.611 ' CE1' ' O ' ' A' ' 36' ' ' GLN . 16.1 t80 -76.76 -39.26 52.26 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.524 ' O ' HD12 ' A' ' 78' ' ' LEU . 23.5 m-85 -87.88 13.41 10.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' CG ' ' HA ' ' A' ' 74' ' ' ARG . 71.6 m-20 -65.98 104.37 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.629 HD13 ' HE2' ' A' ' 18' ' ' TYR . 0.5 OUTLIER -105.02 138.15 41.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.3 m -123.96 164.09 22.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 87' ' ' PHE . 9.0 t -85.7 119.22 71.85 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -4.65 15.72 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -111.26 -20.64 12.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 80' ' ' SER . 3.1 ttt180 -133.54 143.67 48.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.247 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.59 56.15 1.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.35 139.77 51.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -107.27 146.92 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.603 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 80' ' ' SER . 14.7 m-85 -126.54 134.43 50.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.47 ' CE1' ' OE1' ' A' ' 73' ' ' GLN . 0.2 OUTLIER -110.41 100.57 45.29 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.551 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 18' ' ' TYR . 18.3 Cg_endo -74.97 160.36 40.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -90.03 119.03 30.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.619 HG21 ' SG ' ' A' ' 70' ' ' CYS . 10.8 mt -87.97 130.3 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.37 133.61 38.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -92.01 115.63 4.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB3' ' HB2' ' A' ' 13' ' ' ASN . . . -86.1 113.47 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.7 tttt -61.88 -143.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 97' ' ' SER . 9.0 t -96.11 143.19 27.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 96' ' ' SER . 1.4 m 156.81 142.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -80.13 -8.78 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -45.91 -25.07 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.52 HG21 ' HZ ' ' A' ' 116' ' ' PHE . 19.0 m -67.68 -42.44 86.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.486 ' HG3' HD11 ' A' ' 118' ' ' ILE . 0.0 OUTLIER -64.58 -41.39 96.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -47.89 81.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -69.07 -34.07 74.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.446 ' O ' ' NZ ' ' A' ' 45' ' ' LYS . 56.2 mt -66.44 -39.79 84.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.4 -25.4 65.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -74.88 67.68 1.68 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.58 176.53 8.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 109' ' ' ASP . . . 132.21 103.97 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 108' ' ' GLY . 68.4 m-20 62.52 35.74 14.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.266 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -130.9 166.27 29.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.689 HD23 ' N ' ' A' ' 112' ' ' GLU . 6.5 tt -104.66 142.87 33.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.689 ' N ' HD23 ' A' ' 111' ' ' LEU . 2.0 mt-10 -126.21 132.75 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.608 ' CE3' ' N ' ' A' ' 114' ' ' GLY . 7.9 t90 -141.02 145.75 36.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 108.038 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.608 ' N ' ' CE3' ' A' ' 113' ' ' TRP . . . 67.82 177.23 11.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.472 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.9 m -123.53 124.04 41.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.758 . . . . 0.0 110.386 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.52 ' HZ ' HG21 ' A' ' 100' ' ' VAL . 14.3 t80 -79.91 150.34 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 115' ' ' THR . 0.5 OUTLIER -145.36 127.42 15.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.486 HD11 ' HG3' ' A' ' 101' ' ' LYS . 6.7 mt -87.34 129.59 38.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.37 128.06 34.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.01 -162.2 25.24 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.335 179.982 . . . . . . . . 0 0 . 1 stop_ save_